data_2k3v_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 2k3v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.519 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 57' ' ' MET . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 53' ' ' ASP . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.558 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' A' ' 52' ' ' HIS . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.516 ' CG ' HG22 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 52' ' ' HIS . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.565 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.565 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 46' ' ' ASP . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 57' ' ' MET . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.411 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 52' ' ' HIS . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 24' ' ' PRO . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' GLU . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 59' ' ' ALA . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 77' ' ' THR . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.551 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.551 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' ' CE ' ' A' ' 50' ' ' LYS . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' CYS . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.504 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' CYS . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.544 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.437 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' MET . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' CYS . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 52' ' ' HIS . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' MET . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' HIS . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.419 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.551 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CG ' HG22 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.435 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' C ' ' O ' ' A' ' 52' ' ' HIS . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' CYS . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 52' ' ' HIS . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' ALA . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' CYS . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.436 ' CG2' ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' CD ' ' A' ' 64' ' ' PRO . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 69' ' ' VAL . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 77' ' ' THR . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 12' ' ' MET . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.516 ' HE1' ' CE2' ' A' ' 8' ' ' PHE . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.418 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB3' ' CD ' ' A' ' 64' ' ' PRO . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 59' ' ' ALA . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 75' ' ' CYS . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.45 ' CE2' ' HE1' ' A' ' 12' ' ' MET . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.45 ' HE1' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.618 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 77' ' ' THR . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CG ' HG22 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.503 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.6 ' C ' ' O ' ' A' ' 52' ' ' HIS . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' A' ' 74' ' ' THR . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 77' ' ' THR . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.568 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 75' ' ' CYS . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' MET . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 13' ' ' GLY . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.4 ' OG ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.524 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.422 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 52' ' ' HIS . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 57' ' ' MET . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.15 144.55 26.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.89 143.01 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.519 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.519 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.483 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.568 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 57' ' ' MET . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.502 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 -88.8 137.06 32.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -126.29 38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.74 24.83 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 83.79 -7.72 68.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -33.16 126.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.512 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.519 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.568 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.08 143.22 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.82 152.85 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.583 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.558 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' A' ' 52' ' ' HIS . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 -93.91 94.01 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.76 35.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -108.61 18.64 20.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 92.84 -11.74 71.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 128.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.505 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.513 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.583 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.06 93.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -178.58 171.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.516 ' CG ' HG22 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.506 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.566 ' HE2' ' C2B' ' A' ' 261' ' ' HEM . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.648 ' C ' ' O ' ' A' ' 52' ' ' HIS . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HG ' ' CMC' ' A' ' 261' ' ' HEM . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 -94.03 91.14 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -91.25 36.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.31 19.98 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 94.34 -13.84 66.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.05 130.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.501 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.514 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.566 ' C2B' ' HE2' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.517 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 89.84 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -168.3 123.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.565 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.565 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.563 ' HE2' ' C2B' ' A' ' 261' ' ' HEM . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD13 ' CMC' ' A' ' 261' ' ' HEM . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 57' ' ' MET . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.411 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.515 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 -89.64 134.88 33.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -126.19 38.54 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -121.11 27.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 87.3 -14.55 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.75 130.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.31 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.523 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.51 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.563 ' C2B' ' HE2' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.515 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 171.29 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -178.95 149.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.58 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 52' ' ' HIS . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 -90.03 138.74 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.61 40.0 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.16 26.18 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 83.8 -8.71 65.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 126.22 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.509 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.518 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.58 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.564 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -42.17 102.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.17 170.51 8.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' GLU . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 HD21 ' C4C' ' A' ' 278' ' ' HEM . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 59' ' ' ALA . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.418 ' N ' ' O1A' ' A' ' 238' ' ' HEM . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 77' ' ' THR . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 -94.46 91.4 6.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.71 30.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -102.46 15.04 30.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 98.47 -16.55 59.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.38 130.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.512 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.504 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.571 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.561 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.91 89.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -117.15 117.72 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.551 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.551 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.559 ' HE2' ' C2B' ' A' ' 261' ' ' HEM . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 59' ' ' ALA . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.576 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 -93.56 91.77 7.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.77 35.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.16 19.69 19.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 93.96 -14.48 65.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.95 132.46 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 0.76 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.521 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.513 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.56 ' C2C' ' HB2' ' A' ' 61' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.576 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.626 ' HD2' ' N ' ' A' ' 2' ' ' ASP . 14.4 p-10 179.33 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -128.18 138.86 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.536 ' HE1' ' CMB' ' A' ' 261' ' ' HEM . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.434 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HD3' ' CBD' ' A' ' 261' ' ' HEM . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.562 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 -93.18 89.96 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -90.98 35.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.82 20.65 17.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 97.02 -19.58 54.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.88 132.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.538 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.53 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.536 ' CMB' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.581 ' C3D' ' O1D' ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.07 150.0 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -73.26 135.38 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.544 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.465 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.437 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' N ' ' OD2' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.576 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' MET . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.513 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' CGD' ' A' ' 261' ' ' HEM . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 -92.78 93.52 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.21 36.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -113.51 22.05 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 91.51 -15.37 61.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.47 128.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.522 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.515 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.576 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -115.18 150.63 35.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.14 84.43 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD23 ' CAB' ' A' ' 261' ' ' HEM . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.575 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 52' ' ' HIS . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' MET . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' HIS . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.58 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 -92.61 91.47 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.39 34.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -107.98 18.83 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 95.97 -17.55 59.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.29 133.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.529 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.525 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.575 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.58 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 74.35 84.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.64 158.97 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.512 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD23 ' CAB' ' A' ' 261' ' ' HEM . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.498 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.582 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 -93.48 92.8 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 27.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -99.19 12.92 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 96.95 -9.89 65.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 129.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.574 ' CMD' ' CGD' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.512 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.569 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.582 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t0 174.79 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.77 132.84 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.551 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.5 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.504 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ASP . 98.1 m-70 -93.77 164.24 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 1.4 m-20 -39.18 -52.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.8 OUTLIER 155.18 -52.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 81' ' ' ASP . . . -35.58 -43.48 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -43.09 126.64 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.5 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.518 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.569 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.504 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 152.62 43.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -60.47 138.62 57.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CG ' HG22 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.573 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' C ' ' O ' ' A' ' 52' ' ' HIS . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 59' ' ' ALA . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.493 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 -94.09 93.23 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.38 31.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -104.44 16.17 26.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 96.11 -14.5 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.18 128.26 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.516 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.514 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.573 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.554 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.83 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.35 120.17 4.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.588 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.498 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 52' ' ' HIS . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 59' ' ' ALA . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 -92.7 92.2 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.53 32.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -105.41 16.8 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 96.01 -17.66 58.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.71 129.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.484 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.523 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.588 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.559 ' O2D' ' C3D' ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.93 114.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.83 156.4 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.436 ' CG2' ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE2' ' HE3' ' A' ' 12' ' ' MET . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.503 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.51 ' HE3' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.565 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD23 ' C4C' ' A' ' 278' ' ' HEM . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' CD ' ' A' ' 64' ' ' PRO . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.522 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 69' ' ' VAL . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HB2' ' CGD' ' A' ' 261' ' ' HEM . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.565 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 -88.41 124.35 33.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -118.31 35.0 4.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -114.67 23.02 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 89.05 -11.62 68.76 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.7 128.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.241 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.512 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.521 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.565 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.585 ' C4C' HD23 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.67 125.64 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.516 ' CE2' ' HE1' ' A' ' 12' ' ' MET . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.516 ' HE1' ' CE2' ' A' ' 8' ' ' PHE . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.58 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD21 ' C4C' ' A' ' 278' ' ' HEM . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB3' ' CD ' ' A' ' 64' ' ' PRO . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 59' ' ' ALA . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.571 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 -95.99 91.02 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.68 33.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.1 16.92 24.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 95.1 -12.1 68.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.22 128.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.517 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.52 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.58 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.582 ' C4C' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.98 136.45 33.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.07 147.26 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.45 ' CE2' ' HE1' ' A' ' 12' ' ' MET . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.45 ' HE1' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' CMC' ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.618 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' C3D' ' A' ' 278' ' ' HEM . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HG ' ' CMC' ' A' ' 261' ' ' HEM . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 77' ' ' THR . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -92.48 32.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -104.51 16.55 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 98.71 -18.17 57.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.83 134.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.546 ' C2A' ' O2A' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.514 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.57 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.566 ' C3D' HD11 ' A' ' 55' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.99 102.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.44 160.99 26.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CG ' HG22 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.503 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' C3B' ' A' ' 261' ' ' HEM . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.581 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.6 ' C ' ' O ' ' A' ' 52' ' ' HIS . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.517 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' A' ' 74' ' ' THR . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 -90.76 131.61 36.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -123.18 36.2 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -117.1 23.43 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 90.18 -15.56 59.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.538 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.525 ' NA ' ' CE1' ' A' ' 9' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.581 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 150.1 24.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 124.19 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 12' ' ' MET . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.568 ' HE2' ' CE2' ' A' ' 8' ' ' PHE . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' C3D' ' A' ' 278' ' ' HEM . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.552 HD21 ' C4C' ' A' ' 278' ' ' HEM . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.581 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 -93.88 93.35 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -90.87 34.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -108.04 18.37 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 94.55 -17.57 58.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.514 ' CMA' ' CBA' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.521 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.569 ' C2B' ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.581 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -126.22 146.86 49.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 141.41 58.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.501 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 13' ' ' GLY . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.4 ' OG ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' CB ' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 52' ' ' HIS . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 57' ' ' MET . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.491 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 -94.04 90.45 6.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -90.96 34.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -108.53 18.54 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ARG . . . 97.81 -15.33 61.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.24 129.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' HEM . . . . . 0.53 ' ND ' ' CE1' ' A' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' HEM . . . . . 0.512 ' CMA' ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' HEM . . . . . 0.57 ' C2B' ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' HEM . . . . . 0.549 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.024 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 1.024 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HB2' HD12 ' A' ' 56' ' ' LEU . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 3.9 t-20 -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 53' ' ' ASP . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.939 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.939 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.916 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.916 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 71' ' ' GLU . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.827 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.898 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.898 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.7 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 46' ' ' ASP . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.7 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.536 ' HB2' HD12 ' A' ' 56' ' ' LEU . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.743 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.491 ' HG1' ' HG1' ' A' ' 77' ' ' THR . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.491 ' HG1' ' HG1' ' A' ' 74' ' ' THR . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.797 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 55' ' ' LEU . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.667 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB2' HG21 ' A' ' 69' ' ' VAL . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' GLU . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.635 ' HA ' HD12 ' A' ' 55' ' ' LEU . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 52' ' ' HIS . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' ' CE ' ' A' ' 50' ' ' LYS . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.781 ' HB3' HD12 ' A' ' 56' ' ' LEU . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.655 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' CYS . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.008 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 1.008 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.99 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.99 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' CYS . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 56' ' ' LEU . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' CYS . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CG ' HG21 ' A' ' 69' ' ' VAL . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.787 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.627 ' HB2' HD12 ' A' ' 56' ' ' LEU . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.589 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 8' ' ' PHE . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.636 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.007 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 1.007 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB2' HD12 ' A' ' 56' ' ' LEU . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.696 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 77' ' ' THR . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.764 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.764 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' HIS . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 56' ' ' LEU . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' CYS . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.525 ' CG ' HG21 ' A' ' 69' ' ' VAL . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.718 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.635 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.718 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.759 ' HB2' HD12 ' A' ' 56' ' ' LEU . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.525 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' CYS . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.518 HG22 ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' HIS . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.694 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.419 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 4' ' ' THR . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' A' ' 77' ' ' THR . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' A' ' 74' ' ' THR . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 77' ' ' THR . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' HIS . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 75' ' ' CYS . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' NE2' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.408 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.638 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 77' ' ' THR . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 75' ' ' CYS . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' MET . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 6' ' ' ALA . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA2' HG13 ' A' ' 10' ' ' VAL . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.02 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.421 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 1.02 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HB2' HD12 ' A' ' 56' ' ' LEU . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.15 144.55 26.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.89 143.01 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.847 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.483 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' HMC3 ' A' ' 238' ' ' HEM . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.024 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 1.024 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HB2' HD12 ' A' ' 56' ' ' LEU . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 -88.8 137.06 32.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -126.29 38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.74 24.83 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.765 ' O ' HG23 ' A' ' 84' ' ' THR . . . 83.79 -7.72 68.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -33.16 126.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 82' ' ' GLY . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB1' ' O1D' ' A' ' 261' ' ' HEM . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.847 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.758 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.608 HMC3 ' HB2' ' A' ' 61' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.08 143.22 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.82 152.85 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.88 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.939 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.939 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD13 HAD2 ' A' ' 278' ' ' HEM . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.916 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.916 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 71' ' ' GLU . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.827 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.541 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 -93.91 94.01 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.76 35.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -108.61 18.64 20.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.781 ' O ' HG23 ' A' ' 84' ' ' THR . . . 92.84 -11.74 71.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 128.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.88 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.568 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.616 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.758 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.06 93.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -178.58 171.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.506 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.649 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' O ' HMC3 ' A' ' 238' ' ' HEM . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.898 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.551 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.898 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 -94.03 91.14 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -91.25 36.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.31 19.98 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.804 ' O ' HG23 ' A' ' 84' ' ' THR . . . 94.34 -13.84 66.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.05 130.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.649 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.838 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.595 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.673 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 89.84 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -168.3 123.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.558 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.737 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.7 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.529 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.7 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD1' HAD2 ' A' ' 278' ' ' HEM . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.536 ' HB2' HD12 ' A' ' 56' ' ' LEU . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.743 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.411 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 -89.64 134.88 33.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -126.19 38.54 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -121.11 27.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.915 ' O ' HG23 ' A' ' 84' ' ' THR . . . 87.3 -14.55 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.75 130.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.31 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.835 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.558 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.559 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.818 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 171.29 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -178.95 149.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.689 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' HMC1 ' A' ' 238' ' ' HEM . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.554 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.797 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 ' CBD' ' A' ' 278' ' ' HEM . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.667 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 -90.03 138.74 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.61 40.0 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.16 26.18 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.788 ' O ' HG23 ' A' ' 84' ' ' THR . . . 83.8 -8.71 65.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 126.22 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.689 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.835 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.638 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.582 ' CGD' HMD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -42.17 102.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.17 170.51 8.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB2' HG21 ' A' ' 69' ' ' VAL . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.859 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' HMC3 ' A' ' 238' ' ' HEM . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.543 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.635 ' HA ' HD12 ' A' ' 55' ' ' LEU . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 52' ' ' HIS . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.418 ' N ' ' O1A' ' A' ' 238' ' ' HEM . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 -94.46 91.4 6.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.71 30.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -102.46 15.04 30.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 84' ' ' THR . . . 98.47 -16.55 59.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.38 130.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.859 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.57 HMA1 HBA1 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.814 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.649 ' C4C' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.91 89.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -117.15 117.72 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.835 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.566 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.781 ' HB3' HD12 ' A' ' 56' ' ' LEU . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.655 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG13 ' O2A' ' A' ' 238' ' ' HEM . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.576 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 -93.56 91.77 7.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.77 35.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.16 19.69 19.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 84' ' ' THR . . . 93.96 -14.48 65.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.95 132.46 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 0.76 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.835 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.568 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.566 HBB2 ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.686 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 179.33 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -128.18 138.86 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD21 HMA1 ' A' ' 238' ' ' HEM . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.77 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.008 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.714 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 1.008 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.99 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.99 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HD3' ' CBD' ' A' ' 261' ' ' HEM . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.562 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 -93.18 89.96 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -90.98 35.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.82 20.65 17.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 84' ' ' THR . . . 97.02 -19.58 54.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.88 132.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.77 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.861 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.714 HBB2 ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.673 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.07 150.0 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -73.26 135.38 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.806 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.465 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.563 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 56' ' ' LEU . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' CGD' ' A' ' 261' ' ' HEM . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 -92.78 93.52 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.21 36.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -113.51 22.05 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.901 ' O ' HG23 ' A' ' 84' ' ' THR . . . 91.51 -15.37 61.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.47 128.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.561 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.564 HBC1 ' C1C' ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -115.18 150.63 35.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.14 84.43 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 HMA1 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CG ' HG21 ' A' ' 69' ' ' VAL . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.838 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' HMC3 ' A' ' 238' ' ' HEM . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.787 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.627 ' HB2' HD12 ' A' ' 56' ' ' LEU . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.589 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 8' ' ' PHE . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 -92.61 91.47 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.39 34.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -107.98 18.83 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 84' ' ' THR . . . 95.97 -17.55 59.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.29 133.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.851 HMA2 HBA2 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.845 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.578 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.579 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 74.35 84.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.64 158.97 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.512 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.715 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.568 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.636 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 -93.48 92.8 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 27.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -99.19 12.92 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.95 -9.89 65.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 129.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.971 ' CGD' HMD1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.539 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.605 HMC3 ' HB2' ' A' ' 61' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.583 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t0 174.79 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.77 132.84 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.842 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' HMC3 ' A' ' 238' ' ' HEM . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.007 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.558 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 1.007 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB2' HD12 ' A' ' 56' ' ' LEU . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.696 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 77' ' ' THR . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.504 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ASP . 98.1 m-70 -93.77 164.24 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 1.4 m-20 -39.18 -52.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.8 OUTLIER 155.18 -52.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.751 ' O ' HG23 ' A' ' 84' ' ' THR . . . -35.58 -43.48 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -43.09 126.64 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.842 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.65 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.558 HBB2 ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.582 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 152.62 43.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -60.47 138.62 57.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.764 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.519 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.764 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' HIS . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.677 HD11 HMC2 ' A' ' 261' ' ' HEM . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 56' ' ' LEU . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 -94.09 93.23 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.38 31.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -104.44 16.17 26.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.11 -14.5 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.18 128.26 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.811 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.71 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.752 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.677 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.601 ' C1C' HBC1 ' A' ' 261' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.83 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.35 120.17 4.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD21 ' C4A' ' A' ' 238' ' ' HEM . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.525 ' CG ' HG21 ' A' ' 69' ' ' VAL . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.845 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' OE1' HBB1 ' A' ' 238' ' ' HEM . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HMC3 ' A' ' 238' ' ' HEM . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.718 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.506 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.635 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.718 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD13 HAD2 ' A' ' 278' ' ' HEM . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.759 ' HB2' HD12 ' A' ' 56' ' ' LEU . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.525 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 -92.7 92.2 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.53 32.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -105.41 16.8 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.01 -17.66 58.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.71 129.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.565 ' CGA' HMA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.605 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.688 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.93 114.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.83 156.4 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.518 HG22 ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.503 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.845 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.549 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' HIS . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.82 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.522 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 4' ' ' THR . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' CGD' ' A' ' 261' ' ' HEM . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 -88.41 124.35 33.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -118.31 35.0 4.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -114.67 23.02 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.893 ' O ' HG23 ' A' ' 84' ' ' THR . . . 89.05 -11.62 68.76 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.7 128.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.241 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.756 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.82 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.807 HMD2 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.67 125.64 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.847 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.533 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' HIS . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.572 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 -95.99 91.02 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.68 33.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.1 16.92 24.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.63 ' O ' HG23 ' A' ' 84' ' ' THR . . . 95.1 -12.1 68.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.22 128.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.847 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.756 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.784 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.808 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.98 136.45 33.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.07 147.26 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.848 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' NE2' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.557 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -92.48 32.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -104.51 16.55 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.762 ' O ' HG23 ' A' ' 84' ' ' THR . . . 98.71 -18.17 57.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.83 134.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.848 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.833 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.639 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.807 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.99 102.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.44 160.99 26.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' HMC3 ' A' ' 238' ' ' HEM . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.555 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 HAD2 ' A' ' 278' ' ' HEM . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.516 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.567 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 -90.76 131.61 36.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -123.18 36.2 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -117.1 23.43 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.952 ' O ' HG23 ' A' ' 84' ' ' THR . . . 90.18 -15.56 59.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.952 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.803 HBD1 HMD2 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.58 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.555 HBB2 ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.567 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 150.1 24.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 124.19 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.536 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' C3D' ' A' ' 278' ' ' HEM . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.812 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 -93.88 93.35 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -90.87 34.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -108.04 18.37 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.858 ' O ' HG23 ' A' ' 84' ' ' THR . . . 94.55 -17.57 58.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.824 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.754 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.812 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.632 ' C4C' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -126.22 146.86 49.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 141.41 58.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.501 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 6' ' ' ALA . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA2' HG13 ' A' ' 10' ' ' VAL . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.02 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.493 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 1.02 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD11 HMC2 ' A' ' 261' ' ' HEM . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HB2' HD12 ' A' ' 56' ' ' LEU . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 -94.04 90.45 6.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -90.96 34.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -108.53 18.54 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.843 ' O ' HG23 ' A' ' 84' ' ' THR . . . 97.81 -15.33 61.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.24 129.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 82' ' ' GLY . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 218' ' ' HEM . . . . . 0.586 HMD2 ' CGD' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 238' ' ' HEM . . . . . 0.599 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 261' ' ' HEM . . . . . 0.634 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' HEM . . . . . 0.581 ' CGD' HMD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.024 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 1.024 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HB2' HD12 ' A' ' 56' ' ' LEU . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 53' ' ' ASP . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.939 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.939 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.916 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.916 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 71' ' ' GLU . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.827 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.898 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.898 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.7 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 46' ' ' ASP . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.7 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.536 ' HB2' HD12 ' A' ' 56' ' ' LEU . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.743 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.491 ' HG1' ' HG1' ' A' ' 77' ' ' THR . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.491 ' HG1' ' HG1' ' A' ' 74' ' ' THR . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.797 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 55' ' ' LEU . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.667 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 77' ' ' THR . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB2' HG21 ' A' ' 69' ' ' VAL . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 31' ' ' GLU . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.635 ' HA ' HD12 ' A' ' 55' ' ' LEU . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 52' ' ' HIS . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' O ' ' CE ' ' A' ' 50' ' ' LYS . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.781 ' HB3' HD12 ' A' ' 56' ' ' LEU . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.655 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' CYS . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.008 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 1.008 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.99 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.99 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' CYS . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 56' ' ' LEU . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' CYS . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CG ' HG21 ' A' ' 69' ' ' VAL . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.787 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.627 ' HB2' HD12 ' A' ' 56' ' ' LEU . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.589 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 8' ' ' PHE . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.636 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.007 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 1.007 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB2' HD12 ' A' ' 56' ' ' LEU . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.696 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 77' ' ' THR . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.764 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.764 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' HIS . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 56' ' ' LEU . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.646 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' CYS . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.525 ' CG ' HG21 ' A' ' 69' ' ' VAL . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.718 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.635 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.718 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.759 ' HB2' HD12 ' A' ' 56' ' ' LEU . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.525 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' CYS . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.518 HG22 ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' HIS . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.694 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.419 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 4' ' ' THR . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' A' ' 77' ' ' THR . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' A' ' 74' ' ' THR . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 77' ' ' THR . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' HIS . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 75' ' ' CYS . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' GLU . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.408 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.638 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 77' ' ' THR . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 75' ' ' CYS . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' MET . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 6' ' ' ALA . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA2' HG13 ' A' ' 10' ' ' VAL . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.02 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.421 ' HB2' ' HB2' ' A' ' 49' ' ' HIS . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 1.02 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HB2' HD12 ' A' ' 56' ' ' LEU . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' CYS . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.15 144.55 26.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.89 143.01 28.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.0 p -58.25 161.3 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -42.4 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.4 -29.2 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -74.22 -57.69 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -45.8 -38.25 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.2 -38.16 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.9 t -56.51 -56.23 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.92 -19.66 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.63 18.16 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.57 -77.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -168.06 34.67 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.9 m -72.78 -17.37 61.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 29.1 mp0 -83.46 11.6 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.847 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.23 -25.54 61.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -147.41 25.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.483 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.4 m-70 -145.12 136.79 25.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.632 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.87 121.2 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 42.9 36.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.83 59.2 11.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.77 75.49 13.18 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.116 0.96 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -47.54 133.38 20.91 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.34 3.36 . . . . 0.0 109.629 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -59.34 161.07 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.17 39.67 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -149.4 -62.0 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.12 -26.53 5.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.58 63.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.133 0.968 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 16.4 t80 -46.15 -45.85 16.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.862 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -50.62 44.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.42 -25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -44.59 69.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' O ' HMC3 ' A' ' 238' ' ' HEM . 66.2 mm-40 -51.75 -33.14 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.74 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.21 62.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -164.04 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.37 -10.74 57.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 108.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.54 -88.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.01 -152.2 23.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -110.94 149.42 30.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.2 mt -57.08 -34.48 68.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.024 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -68.05 -7.7 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -117.1 23.32 11.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 27.8 mtt -117.82 -172.25 2.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' ND1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -50.31 178.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.15 6.88 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.62 -34.62 9.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 49.3 m80 -83.04 -30.79 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 39.5 mtmt -56.08 -68.01 0.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.7 Cg_exo -30.02 -43.72 0.1 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.324 3.35 . . . . 0.0 109.603 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.615 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -79.91 -49.71 11.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.526 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 1.024 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.7 t70 -19.19 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.54 52.87 2.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 55' ' ' LEU . 11.0 mt -158.51 -66.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.62 150.04 47.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 37.1 mtm -74.75 171.09 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -61.0 -69.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.29 -53.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' HB2' HD12 ' A' ' 56' ' ' LEU . 19.0 m-20 -36.86 -32.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -106.65 -51.38 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.0 m-70 -87.18 55.08 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.09 96.62 0.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' HIS . 35.9 Cg_exo -63.77 -56.81 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 0.0 109.547 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -81.39 58.29 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.84 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.57 169.72 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' VAL . 5.8 mtmt -135.97 134.16 38.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.5 t -38.6 130.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 36.93 12.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.757 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -76.02 115.76 49.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -46.0 155.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.58 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.7 p -103.62 134.41 47.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.417 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' HIS . 4.7 m -66.87 -22.85 65.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.84 -9.4 37.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 71.0 m -88.74 13.72 11.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.6 m -165.16 -56.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.3 m-70 -88.8 137.06 32.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -126.29 38.3 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.74 24.83 10.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.765 ' O ' HG23 ' A' ' 84' ' ' THR . . . 83.79 -7.72 68.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -33.16 126.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.765 HG23 ' O ' ' A' ' 82' ' ' GLY . 4.3 p -124.36 157.47 34.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB1' ' O1D' ' A' ' 261' ' ' HEM . . . -76.99 148.5 36.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.847 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.758 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.608 HMC3 ' HB2' ' A' ' 61' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -116.08 143.22 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.82 152.85 41.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.3 p -60.2 156.67 14.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -60.92 -42.07 97.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.12 77.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt0 -61.57 -59.62 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.2 t80 -43.37 -37.56 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.4 m80 -74.73 -38.66 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' GLU . 3.5 t -56.14 -54.26 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.81 -19.8 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -103.41 18.3 22.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.08 -78.94 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.2 -166.66 35.28 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.3 m -73.52 -17.2 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -83.03 12.43 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.88 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.59 -25.5 60.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.42 27.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 44.4 m-70 -146.65 121.41 9.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 117.23 22.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.32 38.8 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.14 54.63 30.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.22 76.41 16.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.066 0.936 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.65 123.28 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.344 3.362 . . . . 0.0 109.587 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.45 161.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -111.87 40.32 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -146.6 -62.76 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.92 -17.75 8.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.93 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.068 0.937 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -40.62 -46.99 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.29 -50.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -45.72 -29.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -39.74 90.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -46.7 -36.7 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.04 49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.77 65.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 -71.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.82 -11.19 60.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.46 -88.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 -150.72 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -112.08 149.93 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -57.05 -39.23 74.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.939 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -63.14 -13.07 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.24 15.91 24.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 33.7 mtt -112.86 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.47 179.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.558 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 5.1 m-20 -83.36 9.98 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.8 -33.52 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -85.02 -33.47 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 4.0 ttpt -56.17 -58.22 17.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 24.3 Cg_exo -35.7 -38.23 0.24 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.31 3.34 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.586 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.6 m80 -88.94 -39.74 13.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.62 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.939 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 34.7 t70 -24.98 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' HIS . . . 97.17 54.66 1.25 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD13 HAD2 ' A' ' 278' ' ' HEM . 9.1 mt -158.31 -65.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.797 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.916 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -127.46 139.94 52.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.0 mpp? -64.69 170.9 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.4 m -61.4 -71.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.88 -51.77 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.916 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.31 -32.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.587 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.34 -53.1 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.9 m-70 -85.46 55.23 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' HIS . . . -38.72 97.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' HIS . 34.2 Cg_exo -63.36 -55.81 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.319 3.346 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.22 55.9 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.615 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.86 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 71' ' ' GLU . . . -58.66 166.02 2.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -128.86 138.95 52.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -36.53 134.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.29 38.83 9.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.827 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -119.81 138.37 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -114.84 93.85 35.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -38.71 157.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.32 3.347 . . . . 0.0 109.553 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.5 p -112.28 129.12 56.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.1 m -65.32 -42.5 92.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 -26.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.429 ' N ' ' C ' ' A' ' 75' ' ' CYS . 90.6 m -61.18 -42.04 97.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.541 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.6 m -110.22 -52.46 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 75' ' ' CYS . 44.1 m-70 -93.91 94.01 8.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.76 35.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -108.61 18.64 20.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.781 ' O ' HG23 ' A' ' 84' ' ' THR . . . 92.84 -11.74 71.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 128.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.336 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.0 p -125.73 156.86 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.22 42.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.88 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.568 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.616 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.758 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.06 93.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -178.58 171.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.5 p -77.27 162.06 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -44.35 94.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.31 -30.08 59.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' VAL . 12.2 tp10 -73.45 -60.55 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 t80 -43.28 -36.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.506 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.3 m80 -73.96 -39.62 63.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.596 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.6 t -56.32 -54.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -52.16 -20.38 2.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtm -104.35 19.56 20.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -81.25 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.72 -166.64 37.48 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.4 m -76.1 -14.77 60.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.6 mp0 -85.01 12.95 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.649 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -73.52 -24.94 60.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.83 25.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.8 m-70 -145.67 131.14 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.67 120.15 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 40.67 40.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.3 55.39 30.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 79.57 27.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 122.056 0.931 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.79 123.04 9.02 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.28 3.32 . . . . 0.0 109.614 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 p -48.47 161.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -117.79 37.89 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -154.64 -61.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.17 -29.8 4.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.95 -52.28 66.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.076 0.941 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -50.39 -45.67 55.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -48.96 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -46.31 -26.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -42.08 72.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' O ' HMC3 ' A' ' 238' ' ' HEM . 66.0 mm-40 -51.54 -36.7 46.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.29 46.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.87 63.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.2 p -164.65 -72.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.28 -10.26 57.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.295 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.52 -87.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.33 -155.78 26.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.47 147.53 32.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -55.76 -32.77 63.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.898 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.3 -5.38 31.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.65 24.9 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.551 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 22.4 mtt -116.93 -172.51 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.28 178.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.2 p30 -82.53 7.1 15.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -101.4 -28.31 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -90.67 -39.55 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 35.5 mtmt -47.43 -66.81 0.48 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 80.3 Cg_exo -30.62 -46.6 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.648 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.8 m80 -76.8 -47.03 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.898 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 39.2 t70 -16.1 102.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.51 53.52 2.12 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.6 mt -154.1 -68.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -125.96 151.84 46.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 2.7 mtm -74.22 173.84 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -64.06 -70.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 108.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.74 -52.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 57' ' ' MET . 1.5 m-20 -36.38 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.708 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -107.22 -53.2 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 94.8 m-70 -86.39 57.84 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.606 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.619 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.95 97.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 62' ' ' HIS . 32.3 Cg_exo -64.89 -57.31 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.324 3.35 . . . . 0.0 109.551 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.85 55.4 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tt0 -179.82 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.1 168.42 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -130.95 137.42 49.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -36.14 131.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.14 36.53 12.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.33 46.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -113.98 90.03 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -40.66 154.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.338 3.358 . . . . 0.0 109.585 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 138.68 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.5 m -68.46 -42.93 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -28.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.458 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.7 m -54.83 -43.13 72.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 52.1 m -115.46 -49.53 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.8 m-70 -94.03 91.14 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -91.25 36.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.31 19.98 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.804 ' O ' HG23 ' A' ' 84' ' ' THR . . . 94.34 -13.84 66.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.05 130.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.1 p -129.59 157.01 43.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.448 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.35 158.06 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.0 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.649 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.838 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.595 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.673 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 89.84 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -168.3 123.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 p -56.3 162.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.558 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -67.2 -43.37 82.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.09 -37.69 67.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' VAL . 21.9 tp10 -67.65 -59.01 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' HG21 ' A' ' 69' ' ' VAL . 79.2 t80 -43.89 -35.77 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 32.7 m80 -76.19 -38.33 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.24 -54.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.17 -19.56 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.78 18.19 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.9 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 160.81 -166.24 35.45 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.3 m -76.07 -18.49 59.18 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 21' ' ' ASP . 2.0 mt-10 -83.8 12.26 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.737 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -71.64 -27.64 63.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.68 22.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.0 m-70 -140.78 133.82 29.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.14 122.33 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.7 OUTLIER 42.37 34.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.59 56.32 25.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -141.77 77.67 18.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.096 0.95 . . . . 0.0 110.26 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.28 124.11 3.78 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.275 3.316 . . . . 0.0 109.643 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -49.58 154.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -105.15 29.99 5.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 -62.96 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.71 -41.46 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.8 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.117 0.96 . . . . 0.0 109.321 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -47.39 -45.19 25.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.841 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.73 -49.74 56.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 7.4 t80 -46.05 -25.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.18 70.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -52.66 -34.25 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.25 49.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.78 63.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.0 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.53 -10.35 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.38 -87.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.39 -146.58 14.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -117.46 147.65 42.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.2 mt -55.61 -34.31 64.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.7 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -69.09 -7.44 35.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 22.93 12.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.529 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 27.3 mtt -116.82 -172.28 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.49 178.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.5 m-20 -82.08 6.41 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.54 -34.34 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.4 m80 -82.58 -30.3 29.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 38.4 mtmt -56.39 -68.71 0.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 85.0 Cg_exo -29.68 -42.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.327 3.352 . . . . 0.0 109.624 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 40.8 m80 -81.28 -51.08 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.7 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 26.7 t70 -17.65 102.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.85 53.75 1.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' CD1' HAD2 ' A' ' 278' ' ' HEM . 7.1 mt -159.56 -62.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -127.69 151.27 49.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.3 mpp? -77.62 168.46 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -59.59 -68.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.67 -53.62 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.536 ' HB2' HD12 ' A' ' 56' ' ' LEU . 48.0 m-20 -36.23 -32.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.743 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.62 -53.38 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 91.9 m-70 -87.44 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.65 98.59 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 39.7 Cg_exo -64.15 -56.92 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.323 3.349 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -81.9 58.25 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.627 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.56 -61.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.63 164.0 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.58 133.8 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.0 t -34.08 129.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 36.22 11.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -104.97 139.08 40.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.88 95.29 40.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.0 Cg_exo -48.55 135.28 26.99 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.0 p -89.44 130.28 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.2 m -63.12 -24.62 67.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -10.08 33.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.411 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 88.7 m -87.96 13.64 10.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.7 m -164.55 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' CYS . 92.6 m-70 -89.64 134.88 33.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -126.19 38.54 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -121.11 27.35 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.915 ' O ' HG23 ' A' ' 84' ' ' THR . . . 87.3 -14.55 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.75 130.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.31 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.8 p -138.26 156.69 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.53 149.37 50.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.835 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.558 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.559 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.818 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 171.29 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -178.95 149.79 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 37.4 p -60.62 159.57 10.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.53 97.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -56.46 -30.01 62.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 2.5 mm-40 -72.89 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -44.48 -35.88 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.3 m80 -75.69 -37.23 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.5 t -58.78 -55.21 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.57 -20.14 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.5 mtm -103.08 17.98 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.28 -78.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.67 -165.48 35.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.61 -15.17 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.0 mt-10 -84.88 13.42 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.689 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -73.45 -24.97 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.7 m -148.01 25.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.4 m-70 -144.74 132.38 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . . . -92.67 112.77 24.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.5 OUTLIER 40.31 43.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.89 61.45 7.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -144.44 59.14 6.31 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 122.039 0.923 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 6.6 Cg_endo -47.22 116.96 1.98 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.287 3.324 . . . . 0.0 109.623 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.13 154.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.058 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 26.52 5.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.65 -63.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.85 -40.14 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.92 -52.78 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.092 0.949 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -49.26 -45.94 45.5 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 8.8 mt-10 -70.27 -49.8 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -44.78 -27.21 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -39.67 84.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' HMC1 ' A' ' 238' ' ' HEM . 73.3 mm-40 -51.95 -36.66 50.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -85.68 49.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 108.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -147.37 52.92 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.4 t -154.97 -75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.4 m -63.83 -14.36 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.5 -87.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.635 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.77 -156.37 26.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -103.59 150.49 23.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.2 mt -56.49 -38.12 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -65.02 -11.48 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -108.24 16.66 23.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.554 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 37.8 mtt -114.08 -173.21 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 t70 -83.27 8.88 12.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.92 -35.97 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -83.98 -30.3 26.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 5.2 ttpt -57.51 -62.38 5.43 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 83.7 Cg_exo -33.67 -41.42 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.57 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.8 m80 -83.73 -41.85 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.797 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 35.2 t70 -26.1 101.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.0 53.29 1.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD13 ' CBD' ' A' ' 278' ' ' HEM . 11.6 mt -158.05 -66.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -125.58 150.37 47.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -74.17 170.65 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.964 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -61.38 -69.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.34 -53.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 57' ' ' MET . 17.0 m-20 -36.82 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -106.74 -49.88 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 64' ' ' PRO . 91.6 m-70 -89.53 57.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.667 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.39 96.72 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' HIS . 29.2 Cg_exo -64.85 -57.53 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.311 3.341 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -82.58 55.6 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 27.6 tt0 179.61 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.98 160.54 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -126.08 132.28 51.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.69 132.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.35 37.18 11.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.48 99.35 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.745 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -78.68 115.79 54.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.9 155.02 0.61 Allowed 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.328 3.352 . . . . 0.0 109.614 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.4 p -106.14 126.52 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -58.35 -24.8 60.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.281 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -8.96 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 86.5 m -89.68 13.88 13.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 1.8 m -164.24 -56.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' CYS . 90.2 m-70 -90.03 138.74 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -129.61 40.0 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -120.16 26.18 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.788 ' O ' HG23 ' A' ' 84' ' ' THR . . . 83.8 -8.71 65.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.13 126.22 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.2 p -124.21 156.58 36.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.81 149.69 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.689 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.835 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.638 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.582 ' CGD' HMD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -42.17 102.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.17 170.51 8.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.2 p -77.06 160.94 28.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -63.76 -38.86 92.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.71 -29.89 69.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 25.0 mm-40 -72.69 -59.82 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB2' HG21 ' A' ' 69' ' ' VAL . 64.6 t80 -44.51 -39.63 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.504 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -72.18 -38.3 69.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -57.96 -55.5 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.86 -19.78 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.19 17.48 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.49 -78.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.92 -169.79 35.94 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.1 m -70.75 -16.69 62.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.1 mt-10 -83.46 11.81 6.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.241 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.859 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.36 -25.57 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.4 m -147.75 25.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 40.6 m-70 -145.11 132.16 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.645 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.87 114.74 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.09 28.63 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.69 59.81 10.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -151.66 63.9 5.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.038 0.923 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 76.1 Cg_exo -35.36 135.02 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.372 3.381 . . . . 0.0 109.58 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 161.43 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -98.59 27.85 4.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.04 -63.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.36 -57.39 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.073 0.939 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -40.67 -43.21 1.89 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -70.67 -53.04 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CG ' ' HG3' ' A' ' 57' ' ' MET . 5.0 t80 -43.1 -26.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.24 94.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' HMC3 ' A' ' 238' ' ' HEM . 65.6 mm-40 -51.81 -31.92 29.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.69 49.08 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.32 68.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.72 -71.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.95 -9.37 54.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -117.73 -89.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.55 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.2 -153.46 24.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -109.88 146.75 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.5 mt -54.9 -33.9 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.56 -5.41 33.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.87 25.88 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.543 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 21.9 mtt -116.33 -172.18 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.85 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -83.28 9.01 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -103.55 -29.73 10.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.46 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 62.1 m80 -88.66 -36.56 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 6.3 mtmt -52.13 -62.28 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 36.1 Cg_exo -26.24 -44.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.323 3.349 . . . . 0.0 109.593 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.635 ' HA ' HD12 ' A' ' 55' ' ' LEU . 42.8 m80 -81.42 -61.16 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.601 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.6 t0 20.24 89.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.94 63.02 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 52' ' ' HIS . 10.9 mt -150.34 -45.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -148.9 153.32 37.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.55 167.17 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.2 m -60.9 -70.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.31 -53.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 57' ' ' MET . 24.4 m-20 -35.88 -32.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -106.96 -44.19 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 108.332 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.6 m-70 -97.01 52.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.8 98.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -62.99 -56.09 0.65 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.277 3.318 . . . . 0.0 109.605 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -79.77 61.37 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 170.84 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.61 168.77 15.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -131.54 137.6 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.93 129.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.418 ' N ' ' O1A' ' A' ' 238' ' ' HEM . . . 83.45 37.21 12.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 138.8 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -115.34 96.77 46.7 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.31 138.98 55.3 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.352 3.368 . . . . 0.0 109.586 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.9 p -93.11 136.09 33.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.9 m -66.04 -41.38 90.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.346 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.59 -28.35 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.1 m -55.11 -42.28 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 22.9 m -115.77 -50.33 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.358 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' CYS . 42.8 m-70 -94.46 91.4 6.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.627 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.71 30.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -102.46 15.04 30.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 84' ' ' THR . . . 98.47 -16.55 59.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.38 130.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.2 p -128.48 156.65 42.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.05 163.41 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.5 mttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.859 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.57 HMA1 HBA1 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.814 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.649 ' C4C' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t0 47.91 89.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -117.15 117.72 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' GLU . 57.5 p -41.95 164.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -65.22 -40.44 94.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.695 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.64 -30.59 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.78 -57.86 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -46.12 -38.67 8.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -73.63 -37.73 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.6 t -57.75 -56.04 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -52.35 -20.04 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.4 mtm -103.38 19.73 19.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.54 -78.63 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.39 -169.38 35.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 93.8 m -71.75 -17.46 62.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.6 mt-10 -82.8 10.84 6.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.835 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -71.55 -26.42 62.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -146.77 25.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 41.5 m-70 -145.32 135.44 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.78 118.38 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 45.61 35.9 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.91 58.23 15.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -142.65 73.79 19.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.036 0.922 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.7 126.35 2.29 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.308 3.338 . . . . 0.0 109.592 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 p -51.13 147.28 5.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.997 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.65 27.72 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.78 -63.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.73 -33.77 3.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.78 -45.71 89.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.091 0.948 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -49.41 -44.19 45.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.82 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 1.4 mt-10 -68.15 -50.61 53.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.08 -26.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -42.63 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' GLU . 66.6 mm-40 -51.9 -33.66 37.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.46 48.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.0 67.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 t -169.5 -72.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.47 -10.26 57.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -118.09 -88.59 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.32 -152.78 24.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -113.84 149.34 35.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.5 mt -57.07 -30.0 63.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.82 -4.78 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -121.98 26.29 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.566 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.1 mtt -119.56 -171.99 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.78 177.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 4.0 m-20 -80.67 5.04 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.73 -23.83 14.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 53.7 m80 -95.55 -39.7 9.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 18.7 mtmt -47.25 -69.34 0.25 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.648 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 69.0 Cg_exo -29.21 -45.84 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.294 3.329 . . . . 0.0 109.608 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.614 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.5 m80 -76.24 -51.42 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.44 108.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.45 49.44 2.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 55' ' ' LEU . 9.1 mt -157.77 -66.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.32 146.51 50.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 4.8 ptm -72.47 179.68 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' CYS . 6.0 m -65.67 -72.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 58' ' ' CYS . . . -32.29 -55.57 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.781 ' HB3' HD12 ' A' ' 56' ' ' LEU . 16.1 m-20 -32.23 -38.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.56 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.8 OUTLIER -102.87 -57.12 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.272 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -82.64 57.4 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.655 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -44.7 101.34 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 38.1 Cg_exo -63.9 -57.26 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.317 3.345 . . . . 0.0 109.571 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.24 59.86 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 172.78 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.71 157.87 37.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.91 137.21 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG13 ' O2A' ' A' ' 238' ' ' HEM . 2.5 t -35.66 130.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.32 38.29 11.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 5.8 tt0 -103.31 144.63 31.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -116.79 89.91 30.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 87.1 Cg_exo -47.93 135.98 23.18 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.358 3.372 . . . . 0.0 109.559 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.7 p -95.98 139.79 31.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' HIS . 7.6 m -67.96 -42.49 80.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.338 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -41.94 -27.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.3 m -55.54 -42.15 74.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.576 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 21.5 m -116.2 -50.07 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.342 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' CYS . 51.6 m-70 -93.56 91.77 7.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.77 35.53 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.16 19.69 19.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 84' ' ' THR . . . 93.96 -14.48 65.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.95 132.46 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 0.76 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.2 p -130.91 157.12 43.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.67 156.27 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.835 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.568 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.566 HBB2 ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.686 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 179.33 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -128.18 138.86 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' A' ' 7' ' ' GLU . 33.4 p -59.45 162.7 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.423 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD21 HMA1 ' A' ' 238' ' ' HEM . 0.6 OUTLIER -67.09 -43.34 82.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.12 -28.28 66.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' A' ' 4' ' ' THR . 34.5 mm-40 -74.9 -52.57 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.69 -36.56 47.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.6 m80 -75.57 -34.56 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.608 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -59.08 -57.49 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -52.75 -19.82 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.99 17.02 23.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.74 -76.3 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.44 -167.7 34.6 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.9 m -73.48 -20.77 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.7 mp0 -83.22 12.72 4.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.77 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.4 OUTLIER -71.09 -28.25 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 21.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 36.1 m-70 -137.63 128.61 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.562 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.24 121.64 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 42.59 39.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.61 55.31 27.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -143.32 78.62 14.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.097 0.951 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.95 130.08 22.68 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.87 160.85 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 35.44 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.3 p-10 -143.17 -63.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.68 -42.96 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.8 -51.63 48.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.105 0.955 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -47.03 -42.98 19.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.81 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -51.09 42.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 2.3 t80 -45.3 -26.38 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -43.32 74.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -51.73 -36.9 48.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.68 49.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.14 66.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.57 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.4 m -70.98 -9.99 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.42 -88.73 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.94 -159.42 28.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -103.97 146.1 29.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.6 mt -56.29 -32.63 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.008 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -67.87 -8.5 36.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -116.69 23.7 11.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.714 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 38.4 mtt -118.68 -172.32 2.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.0 175.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 8.6 t0 -79.26 3.65 17.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -98.85 -25.63 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 50.2 m80 -95.02 -27.2 15.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 11.4 mtmt -59.19 -69.99 0.46 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 78.2 Cg_exo -30.37 -45.11 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.322 3.348 . . . . 0.0 109.573 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.602 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.7 m80 -77.29 -48.74 16.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 1.008 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 32.7 t70 -20.21 103.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.84 52.39 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -155.81 -63.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.99 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -129.52 138.02 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -62.77 169.47 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' CYS . 9.5 m -59.66 -71.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -36.78 -50.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.99 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -36.89 -31.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.57 -54.24 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.4 m-70 -84.9 56.86 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.32 97.57 0.14 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.6 Cg_exo -64.64 -57.0 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.289 3.326 . . . . 0.0 109.615 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -81.63 60.29 4.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.54 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.227 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.69 177.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -141.42 135.91 30.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -35.16 131.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.97 38.64 9.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -112.58 138.48 49.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HD3' ' CBD' ' A' ' 261' ' ' HEM . 9.0 mttp -114.38 87.34 13.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 40.1 Cg_exo -40.21 136.43 1.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.33 3.353 . . . . 0.0 109.577 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.2 p -88.92 136.43 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.5 m -69.29 -41.67 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.83 -28.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 75' ' ' CYS . 12.5 m -56.55 -42.43 78.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.562 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 13.0 m -113.75 -50.98 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' CYS . 62.8 m-70 -93.18 89.96 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -90.98 35.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.82 20.65 17.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 84' ' ' THR . . . 97.02 -19.58 54.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.88 132.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 82' ' ' GLY . 13.1 p -136.45 156.85 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.25 150.44 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.77 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.861 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.714 HBB2 ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.673 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.07 150.0 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -73.26 135.38 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 77.1 p -44.83 163.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -65.17 -39.07 92.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.09 85.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' VAL . 10.6 mt-10 -59.94 -59.29 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.5 t80 -43.71 -40.22 4.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.7 m80 -73.18 -39.06 65.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.9 t -55.65 -55.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.67 -19.93 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -101.58 17.52 22.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.91 -76.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.3 -163.66 33.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 85.1 m -76.27 -17.27 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 1.6 mt-10 -82.57 11.66 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.806 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -72.88 -25.84 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -148.25 27.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 108.353 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.465 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 43.4 m-70 -146.32 136.26 23.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.559 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.5 120.04 37.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 40.79 40.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.78 58.97 11.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -141.65 73.55 23.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.071 0.938 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.48 120.38 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.297 3.331 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -48.02 149.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 26.96 5.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -63.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.83 -31.59 3.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.165 0.983 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.88 -45.64 64.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -68.25 -48.8 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 8.3 t80 -45.75 -24.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.75 -41.81 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.3 mm-40 -52.87 -34.46 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.96 49.66 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.235 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.9 60.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 t -161.32 -74.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -67.07 -11.64 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.23 -88.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.555 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.37 -152.85 24.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.54 151.59 26.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.0 mt -59.61 -28.82 67.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -71.86 -4.71 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.79 26.58 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.563 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.8 mtt -120.09 -172.47 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.21 178.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 5.1 p-10 -82.12 5.09 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.67 -23.42 14.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 57.5 m80 -94.1 -39.15 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.59 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.8 mtmt -48.6 -69.26 0.26 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 93.8 Cg_exo -30.39 -45.13 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 0.0 109.599 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.622 ' O ' ' C ' ' A' ' 53' ' ' ASP . 37.3 m80 -76.71 -49.22 16.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.172 . . . . 0.0 109.664 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 52' ' ' HIS . 29.4 t70 -19.38 107.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.87 53.08 2.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.7 mt -157.09 -65.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.791 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -128.5 152.17 48.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.91 171.34 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.6 m -60.67 -68.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.24 -52.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.791 ' HB2' HD12 ' A' ' 56' ' ' LEU . 29.2 m-20 -36.28 -32.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -107.05 -55.2 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 92.4 m-70 -84.75 55.39 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -41.68 99.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 36.5 Cg_exo -63.48 -57.32 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.324 3.349 . . . . 0.0 109.587 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.15 58.72 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.62 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.87 166.75 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -131.75 135.58 46.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -36.88 130.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.26 37.72 12.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -108.89 141.58 40.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' CGD' ' A' ' 261' ' ' HEM . 2.7 mttt -113.08 90.03 15.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 19.7 Cg_exo -37.34 152.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.369 3.379 . . . . 0.0 109.547 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 p -110.19 128.4 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.4 m -68.99 -41.29 78.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 108.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -42.94 -26.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 73.1 m -62.83 -42.55 99.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 6.1 m -107.57 -53.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.542 ' N ' ' O ' ' A' ' 75' ' ' CYS . 70.6 m-70 -92.78 93.52 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.641 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.21 36.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -113.51 22.05 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.901 ' O ' HG23 ' A' ' 84' ' ' THR . . . 91.51 -15.37 61.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.47 128.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.277 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.0 p -132.31 157.06 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.09 150.86 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.561 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.564 HBC1 ' C1C' ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.568 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CB ' ' HG2' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -115.18 150.63 35.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.14 84.43 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -39.31 158.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 110.382 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 HMA1 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -60.04 -42.22 93.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.17 94.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.87 -49.65 76.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CG ' HG21 ' A' ' 69' ' ' VAL . 76.0 t80 -52.98 -39.69 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 35.5 m80 -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.89 -56.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.23 -20.16 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 19.17 20.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.8 -77.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.39 -167.31 34.49 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.5 m -73.53 -20.12 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.2 mt-10 -81.01 9.78 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.838 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -70.36 -27.06 64.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.8 m -147.34 26.9 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.0 m-70 -145.42 136.29 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.0 123.4 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.75 38.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.61 58.52 14.01 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -145.73 80.55 10.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.055 0.931 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -44.72 124.79 5.83 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.272 3.314 . . . . 0.0 109.579 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -49.98 143.64 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 33.1 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -142.55 -63.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 125.89 -32.77 3.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.31 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.116 0.96 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -48.88 -46.31 42.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.841 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' GLN . 9.2 mt-10 -68.41 -49.71 58.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -44.98 -28.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.25 -41.67 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' O ' HMC3 ' A' ' 238' ' ' HEM . 68.4 mm-40 -50.09 -37.2 32.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.96 47.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.37 66.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 m -167.86 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -69.37 -9.89 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.32 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.64 -88.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.4 -155.26 26.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 149.22 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.4 mt -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -70.37 -5.73 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 26.16 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 24.7 mtt -118.68 -172.49 2.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.07 178.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 1.5 p-10 -82.05 6.37 16.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.79 -23.95 14.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 58.3 m80 -95.43 -40.68 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.571 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 5.9 mtmt -46.12 -68.95 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 73.9 Cg_exo -29.21 -44.59 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.631 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -79.07 -50.19 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.787 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 33.0 t70 -16.97 105.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.17 53.07 2.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 55' ' ' LEU . 7.8 mt -157.47 -66.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -126.25 152.52 45.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -75.74 173.19 11.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.2 m -62.7 -70.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.01 -51.99 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.627 ' HB2' HD12 ' A' ' 56' ' ' LEU . 27.5 m-20 -35.86 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.589 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -106.53 -55.51 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.273 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' PRO . 95.2 m-70 -83.69 57.31 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.52 97.89 0.15 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 33.4 Cg_exo -63.44 -56.5 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.305 3.337 . . . . 0.0 109.658 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -81.27 58.88 3.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.577 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.95 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.97 164.5 8.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.7 mttt -128.23 133.34 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 8' ' ' PHE . 1.6 t -34.99 129.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 37.29 11.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.51 136.97 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -111.18 102.03 51.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -48.68 155.81 2.22 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.328 3.352 . . . . 0.0 109.582 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.422 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 69.6 p -111.36 137.2 49.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' HIS . 5.1 m -66.73 -42.87 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.64 -27.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.46 ' N ' ' C ' ' A' ' 75' ' ' CYS . 4.5 m -56.32 -42.65 77.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 29.0 m -114.84 -50.34 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' CYS . 60.0 m-70 -92.61 91.47 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.648 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.39 34.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -107.98 18.83 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 84' ' ' THR . . . 95.97 -17.55 59.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.29 133.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.9 p -135.04 156.83 48.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.15 156.58 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 tttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.851 HMA2 HBA2 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.845 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.578 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.579 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 74.35 84.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.64 158.97 18.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -73.37 162.87 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.75 -42.22 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.24 80.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 1.6 tp10 -57.85 -61.05 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -42.52 -39.03 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.512 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.1 m80 -73.56 -39.34 64.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.638 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLU . 4.9 t -55.88 -55.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.42 -20.0 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.78 17.35 20.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 171.42 -78.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 163.3 -167.74 37.7 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 98.5 m -73.13 -13.72 61.24 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 10.9 mp0 -84.81 13.9 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.715 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -74.65 -25.12 58.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.2 m -148.6 26.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 108.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 47.3 m-70 -146.82 130.27 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.24 120.51 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.14 38.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.79 55.56 29.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.95 77.84 20.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.064 0.935 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -44.46 124.75 5.5 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.246 3.297 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 p -51.01 165.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.5 39.34 3.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -149.63 -62.27 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.04 -34.66 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -47.22 86.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.096 0.951 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -49.65 -45.57 48.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 -50.77 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -45.28 -26.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -44.15 67.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -50.15 -34.12 21.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.54 45.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 108.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.25 60.69 1.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.3 t -160.7 -74.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 m -67.38 -11.31 57.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.242 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -116.72 -89.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.65 -152.15 23.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.37 150.09 30.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.1 mt -58.05 -29.7 65.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -72.27 -4.35 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -122.74 27.42 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.568 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.9 mtt -120.86 -172.41 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.42 178.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 22.9 m-20 -82.38 6.72 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -101.79 -31.4 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.437 ' ND1' ' OD1' ' A' ' 46' ' ' ASP . 52.2 m80 -85.85 -37.02 19.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 20.3 mtmt -50.4 -68.5 0.36 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 82.2 Cg_exo -30.4 -45.71 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.34 3.36 . . . . 0.0 109.593 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.619 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.9 m80 -76.79 -49.26 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 52' ' ' HIS . 32.4 t70 -19.53 108.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.9 53.46 2.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 55' ' ' LEU . 10.3 mt -158.29 -67.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.636 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.4 OUTLIER -124.73 154.27 41.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 35.4 mtm -77.47 172.39 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.9 m -62.25 -70.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.4 -53.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' MET . 12.7 m-20 -36.42 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.0 -52.39 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -86.36 56.35 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.22 96.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.7 Cg_exo -63.73 -56.07 0.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.277 3.318 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.26 55.93 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.89 -63.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -61.03 162.0 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.1 mttm -127.73 133.71 49.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -36.48 131.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.68 29.52 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -123.62 92.6 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 114.37 18.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.88 156.16 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.313 3.342 . . . . 0.0 109.633 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.417 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 44.0 p -105.96 140.06 39.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 79' ' ' HIS . 9.0 m -71.35 -42.31 68.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -26.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 75' ' ' CYS . 3.0 m -56.49 -40.75 75.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.583 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 19.9 m -118.17 -50.08 2.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' CYS . 54.0 m-70 -93.48 92.8 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.1 27.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -99.19 12.92 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.95 -9.89 65.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 129.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.6 p -121.64 156.96 31.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.17 151.04 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.971 ' CGD' HMD1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.539 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.605 HMC3 ' HB2' ' A' ' 61' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.583 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 t0 174.79 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.77 132.84 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 p -58.49 159.93 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -42.65 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.1 -30.91 68.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -73.81 -51.11 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.25 -37.75 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 36.1 m80 -74.39 -35.35 63.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -58.52 -56.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.25 -20.03 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.56 18.98 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.4 -78.21 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.29 -168.38 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 82.6 m -72.53 -18.05 61.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -82.92 12.07 5.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.842 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.28 -26.11 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.19 25.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.29 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.6 m-70 -145.43 135.07 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.52 119.51 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 44.27 39.0 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.34 55.6 28.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.72 76.49 35.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.052 0.929 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -46.03 120.87 3.87 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 0.0 109.595 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -49.53 157.71 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 35.49 3.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.8 p-10 -142.51 -63.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.99 -40.63 1.74 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -39.08 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.12 0.962 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CB ' ' OG ' ' A' ' 25' ' ' SER . 12.9 t80 -53.16 -41.21 64.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.847 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -49.07 63.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 36' ' ' GLN . 2.6 t80 -46.38 -28.6 1.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.79 -41.78 87.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' O ' HMC3 ' A' ' 238' ' ' HEM . 63.5 mm-40 -59.51 -35.03 73.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -89.16 46.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 108.298 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -145.01 56.05 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 m -65.34 -12.8 55.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -117.94 -88.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.654 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 -158.46 27.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -104.97 148.72 26.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -56.22 -36.18 68.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.007 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -67.24 -8.59 32.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.91 22.13 13.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.558 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 26.2 mtt -116.38 -172.45 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.48 178.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 12.2 p-10 -82.49 7.44 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -101.5 -36.19 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -81.94 -31.0 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.54 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 28.3 mtmt -55.72 -67.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 75.9 Cg_exo -30.65 -41.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.259 3.306 . . . . 0.0 109.626 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.9 m80 -83.67 -47.02 11.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.592 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 1.007 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 27.1 t70 -22.25 111.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.55 50.94 3.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.574 1.172 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.2 mt -156.12 -69.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -123.05 152.1 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -76.05 169.39 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -59.47 -68.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 108.349 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.15 -53.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' HB2' HD12 ' A' ' 56' ' ' LEU . 10.0 m-20 -36.46 -32.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.584 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -106.45 -56.52 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.258 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.1 m-70 -82.49 56.3 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.696 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.71 97.03 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -65.11 -57.5 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.317 3.344 . . . . 0.0 109.576 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -81.33 57.78 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.574 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 176.05 -60.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -66.85 160.21 26.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -125.73 133.21 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -35.35 123.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.89 -13.5 45.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.8 136.36 48.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 101.17 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -42.45 152.3 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.295 3.33 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.2 p -109.67 130.74 55.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 2.5 m -66.59 -31.7 72.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.84 -15.38 12.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 77' ' ' THR . 86.8 m -89.33 26.59 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.504 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 0.8 OUTLIER -171.64 -48.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' ASP . 98.1 m-70 -93.77 164.24 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 1.4 m-20 -39.18 -52.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 80' ' ' ASP . 0.8 OUTLIER 155.18 -52.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.751 ' O ' HG23 ' A' ' 84' ' ' THR . . . -35.58 -43.48 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 75' ' ' CYS . 0.0 OUTLIER -43.09 126.64 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.7 p -124.3 156.66 36.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.58 142.14 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.842 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.65 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.558 HBB2 ' HE3' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.582 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 152.62 43.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -60.47 138.62 57.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -49.39 158.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -42.93 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.88 83.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.43 -53.73 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 69' ' ' VAL . 66.4 t80 -49.17 -39.12 27.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 31.8 m80 -73.59 -37.49 65.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.67 -55.37 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.62 -20.06 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -101.75 17.94 21.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.51 -78.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.74 -165.76 35.83 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.6 m -75.59 -14.7 60.4 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.8 mp0 -84.8 13.35 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.7 OUTLIER -74.2 -24.36 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 3.1 m -148.93 26.54 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 18' ' ' CYS . 46.1 m-70 -146.28 129.52 16.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.76 121.84 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 45.46 36.66 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.09 55.54 28.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -138.82 80.84 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.046 0.927 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -46.99 118.13 2.57 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 124.293 3.329 . . . . 0.0 109.549 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.14 149.29 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -108.51 47.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.17 -63.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.62 -31.71 4.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.49 -52.06 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.068 0.937 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -44.91 -45.98 10.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.816 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.12 -51.01 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.38 -24.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.98 -43.89 70.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -50.01 -34.43 21.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.87 46.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.47 55.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.0 p -156.92 -75.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.42 -13.13 58.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 108.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -117.12 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.549 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.02 -149.78 21.82 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -110.16 153.85 24.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.3 mt -61.3 -27.35 68.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.764 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -71.79 -5.01 31.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 26.74 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.519 ' HE3' ' C2B' ' A' ' 261' ' ' HEM . 25.4 mtt -121.13 -172.1 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -49.67 178.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 19.6 p-10 -82.33 6.52 16.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -101.86 -32.48 10.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 52.3 m80 -84.35 -34.29 23.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.602 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 36.5 mtmt -52.88 -68.38 0.44 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 78.8 Cg_exo -31.66 -47.4 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.294 3.329 . . . . 0.0 109.612 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.4 m80 -73.87 -46.0 47.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.764 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 38.0 t70 -23.15 107.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.56 50.43 3.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 52' ' ' HIS . 26.1 mt -153.47 -66.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.677 HD11 HMC2 ' A' ' 261' ' ' HEM . 0.2 OUTLIER -126.69 154.19 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 15.3 mtm -76.96 170.19 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.3 m -61.66 -70.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.67 -53.79 1.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 56' ' ' LEU . 8.9 m-20 -36.64 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.645 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -105.97 -51.52 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.3 m-70 -87.69 55.05 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.669 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.646 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.49 96.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.4 Cg_exo -63.91 -56.55 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.304 3.336 . . . . 0.0 109.58 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -83.13 58.68 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.625 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -63.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -58.59 179.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' GLU . 2.7 mttt -144.22 134.84 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.54 129.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.55 24.69 55.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.3 tt0 -111.81 86.27 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 112.33 5.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.79 156.58 1.94 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.269 3.313 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 p -106.71 131.97 53.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.8 m -72.1 -41.76 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -28.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 75' ' ' CYS . 85.2 m -59.84 -43.4 94.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.554 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.0 m -109.21 -52.46 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 75' ' ' CYS . 52.7 m-70 -94.09 93.23 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.38 31.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -104.44 16.17 26.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.811 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.11 -14.5 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.18 128.26 0.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 110.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.811 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.5 p -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 148.71 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.71 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.752 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.677 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.601 ' C1C' HBC1 ' A' ' 261' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.83 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.35 120.17 4.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.7 p -49.64 163.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.425 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD21 ' C4A' ' A' ' 238' ' ' HEM . 0.3 OUTLIER -62.45 -43.17 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.69 73.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -62.14 -56.45 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.525 ' CG ' HG21 ' A' ' 69' ' ' VAL . 82.8 t80 -46.57 -37.29 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 34.4 m80 -74.91 -37.16 62.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.45 -54.2 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -53.2 -19.11 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm -106.44 22.04 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.33 -79.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.26 -167.92 34.55 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.7 m -72.85 -17.62 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.9 mp0 -83.78 12.87 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.845 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.96 -25.14 59.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.6 m -147.85 25.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 38.5 m-70 -144.74 113.55 6.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.85 115.49 19.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.12 27.16 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.08 46.57 93.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 83.19 61.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.082 0.944 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -44.8 123.53 4.94 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.303 3.335 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 m -49.43 152.32 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 27.94 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 2.2 p-10 -149.63 -62.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 128.45 -37.69 2.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.24 -57.16 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.165 0.984 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -48.93 -44.15 40.2 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.834 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' OE1' HBB1 ' A' ' 238' ' ' HEM . 6.8 tm-20 -68.52 -50.34 52.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.36 99.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' HMC3 ' A' ' 238' ' ' HEM . 65.3 mm-40 -49.16 -36.13 18.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.57 48.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.03 63.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 -72.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.0 -12.25 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -117.3 -88.95 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.34 -155.26 26.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -108.8 150.47 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.031 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CAB' ' A' ' 261' ' ' HEM . 1.7 mt -58.67 -30.81 67.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.718 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -70.44 -5.71 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.56 26.13 8.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.506 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 25.5 mtt -119.3 -172.27 2.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -53.93 178.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.635 ' O ' ' HG2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -81.79 5.87 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -100.22 -23.27 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 58.0 m80 -96.62 -40.8 8.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.574 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 4.1 mtmp? -46.07 -69.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 81.5 Cg_exo -30.09 -46.48 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.265 3.31 . . . . 0.0 109.596 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.617 ' O ' ' C ' ' A' ' 53' ' ' ASP . 39.3 m80 -76.26 -49.16 17.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.718 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 36.6 t70 -19.57 102.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.14 53.41 1.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD13 HAD2 ' A' ' 278' ' ' HEM . 9.7 mt -158.79 -60.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -130.52 154.02 48.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.439 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -79.76 167.16 20.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' CYS . 7.7 m -57.99 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.32 -53.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.759 ' HB2' HD12 ' A' ' 56' ' ' LEU . 7.4 m-20 -35.86 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.58 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -106.18 -53.98 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.287 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.92 55.93 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.44 97.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' HIS . 39.7 Cg_exo -63.72 -56.87 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.326 3.35 . . . . 0.0 109.63 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 56.02 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.578 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 1.6 tt0 179.17 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -59.54 168.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.81 135.12 45.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.525 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.4 t -38.05 129.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.28 37.43 18.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -131.56 98.74 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -75.86 115.1 43.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -49.59 155.46 3.64 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.318 3.345 . . . . 0.0 109.608 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 77' ' ' THR . 55.8 p -105.17 136.47 44.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.4 m -67.16 -42.51 84.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.48 -27.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' CYS . 23.5 m -59.13 -42.52 90.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 24.9 m -111.82 -51.94 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 75' ' ' CYS . 55.2 m-70 -92.7 92.2 7.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.53 32.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -105.41 16.8 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' THR . . . 96.01 -17.66 58.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.71 129.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.4 p -127.01 157.27 40.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.431 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.98 159.23 31.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.565 ' CGA' HMA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.605 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.688 HMD1 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.93 114.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -93.83 156.4 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.518 HG22 ' HD3' ' A' ' 68' ' ' LYS . 19.5 p -63.02 161.36 13.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -44.7 89.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -55.03 -28.34 51.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 10' ' ' VAL . 26.6 tt0 -74.78 -60.8 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -43.62 -36.8 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.503 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.3 m80 -74.5 -38.67 62.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.4 t -56.82 -55.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -52.46 -20.15 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.67 19.3 20.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.2 -79.4 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 159.69 -167.58 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 83.8 m -72.85 -18.02 61.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 4.9 mp0 -82.63 11.47 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.845 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.51 -25.94 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.5 m -147.52 26.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.0 m-70 -145.66 133.8 21.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.9 121.63 38.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.4 t0 42.78 37.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.16 57.42 19.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -141.84 78.46 17.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 122.089 0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.66 122.86 6.34 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.352 3.368 . . . . 0.0 109.571 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -49.52 156.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 32.38 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -145.22 -62.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.04 -32.46 3.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.29 92.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.097 0.951 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.8 -45.73 70.86 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.841 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 57' ' ' MET . 0.3 OUTLIER -68.0 -48.05 66.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -46.4 -25.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.32 -42.37 72.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.08 -36.17 62.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.04 50.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.9 62.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -166.13 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.7 m -65.87 -13.15 59.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -116.53 -88.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.638 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 -156.25 26.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -104.77 147.19 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.8 mt -55.24 -33.48 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -71.83 -5.68 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.52 25.25 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.549 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 21.3 mtt -115.79 -172.15 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.16 178.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -83.03 8.44 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.96 -28.77 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 65.1 m80 -89.16 -37.63 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.56 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 34.5 mtmt -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 40.6 Cg_exo -25.97 -45.04 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.286 3.324 . . . . 0.0 109.642 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.64 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.3 m80 -80.16 -60.06 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.64 ' C ' ' O ' ' A' ' 52' ' ' HIS . 7.4 t0 19.02 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.67 62.44 1.77 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' HIS . 8.3 mt -149.0 -45.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.82 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -148.2 152.85 37.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 9.5 ttt -74.92 164.23 26.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' CYS . 13.2 m -58.22 -72.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -39.87 -53.75 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.0 t70 -36.32 -33.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.522 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -104.67 -44.21 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' PRO . 90.2 m-70 -95.3 56.19 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.682 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -36.61 95.46 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 62' ' ' HIS . 37.3 Cg_exo -63.8 -55.49 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.337 3.358 . . . . 0.0 109.594 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -84.52 61.46 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.595 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 172.24 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.03 161.35 16.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HD3' HG22 ' A' ' 4' ' ' THR . 4.1 mmtt -125.45 133.78 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.3 t -35.66 128.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.42 35.2 17.92 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.58 90.48 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HB2' ' CGD' ' A' ' 261' ' ' HEM . 0.0 OUTLIER -63.55 113.03 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.05 158.3 2.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.273 3.315 . . . . 0.0 109.616 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.3 p -110.14 126.83 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.3 m -63.93 -28.03 69.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.14 -14.75 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 46.1 m -83.06 8.99 11.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 5.2 m -160.64 -57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' CYS . 88.9 m-70 -88.41 124.35 33.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -118.31 35.0 4.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -114.67 23.02 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.893 ' O ' HG23 ' A' ' 84' ' ' THR . . . 89.05 -11.62 68.76 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.7 128.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.241 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 82' ' ' GLY . 9.3 p -133.16 157.26 45.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.76 154.39 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.845 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.756 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.82 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.807 HMD2 HBD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -86.46 144.59 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.67 125.64 34.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.4 p -54.99 158.39 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -38.09 86.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -60.41 -30.21 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -72.09 -61.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -42.47 -39.81 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 40.6 m80 -73.04 -39.55 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.1 t -56.13 -56.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.86 -19.59 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 mtm -102.39 17.85 22.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.67 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 157.67 -168.46 34.34 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 90.3 m -72.17 -17.61 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 7.2 mp0 -83.28 11.88 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.847 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -72.28 -26.61 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.2 m -147.07 27.59 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 42.5 m-70 -146.05 127.36 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.48 123.54 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 45.16 37.97 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.68 55.88 20.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.118 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -146.51 83.66 8.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.099 0.952 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -41.49 134.4 3.3 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.318 3.345 . . . . 0.0 109.585 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.51 151.74 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.21 28.8 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.42 -63.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 130.96 -43.2 1.32 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.54 -56.12 17.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.101 0.953 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -41.8 -44.58 3.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.831 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -69.44 -52.27 28.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -44.77 -25.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -42.39 84.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 66.2 mm-40 -50.71 -33.39 22.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.64 47.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.67 69.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -170.32 -72.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -70.29 -9.44 56.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -117.34 -89.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.58 -152.63 24.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -110.46 147.13 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.4 mt -55.48 -34.14 64.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.78 -6.22 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -120.34 25.88 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.533 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 23.2 mtt -117.01 -172.07 2.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.63 179.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 7.3 p-10 -83.22 9.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -103.25 -30.32 10.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 60.8 m80 -88.29 -35.76 17.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 30.6 mtmt -52.73 -63.29 2.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 43.4 Cg_exo -25.97 -44.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.278 3.319 . . . . 0.0 109.621 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.65 ' O ' ' C ' ' A' ' 53' ' ' ASP . 42.6 m80 -80.7 -60.22 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.593 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.65 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.1 t0 17.99 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.0 64.42 1.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.8 mt -152.54 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -149.45 146.76 27.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 12.4 mtp -69.95 165.67 21.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.1 m -59.25 -71.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 108.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.47 -53.92 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -35.98 -33.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -105.37 -44.6 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' PRO . 89.6 m-70 -95.6 51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.556 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.77 97.41 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' HIS . 32.1 Cg_exo -62.23 -55.73 0.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.383 3.389 . . . . 0.0 109.592 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -79.74 60.25 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 171.89 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -70.25 147.43 49.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.98 134.16 55.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.4 t -36.09 131.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.76 37.79 10.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.8 98.1 4.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -71.84 115.02 33.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.73 156.53 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.332 3.355 . . . . 0.0 109.574 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -105.66 129.38 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' HIS . 8.5 m -65.33 -43.89 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.19 -29.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -53.55 -42.86 67.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.572 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 28.0 m -115.6 -50.02 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' CYS . 38.2 m-70 -95.99 91.02 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.68 33.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.1 16.92 24.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.63 ' O ' HG23 ' A' ' 84' ' ' THR . . . 95.1 -12.1 68.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.22 128.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.331 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 82' ' ' GLY . 11.3 p -119.43 156.83 29.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.7 42.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.847 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.756 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.784 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.808 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.98 136.45 33.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.07 147.26 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -68.23 164.86 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' VAL . 0.4 OUTLIER -72.26 -45.32 60.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.97 -29.13 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' VAL . 7.2 tp10 -73.59 -60.41 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 69' ' ' VAL . 75.6 t80 -43.87 -36.92 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 39.9 m80 -74.29 -38.14 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.3 t -57.73 -54.38 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -53.42 -19.27 3.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.65 20.48 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.05 -78.54 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 158.6 -168.14 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 87.6 m -72.29 -17.9 61.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 6.7 mp0 -83.01 12.42 5.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.848 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.3 OUTLIER -73.25 -26.6 61.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.0 m -147.32 27.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.5 m-70 -145.65 123.49 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.59 122.6 30.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 40.73 40.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 55.72 27.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.04 80.51 20.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 122.073 0.939 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -46.16 121.12 4.16 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.33 . . . . 0.0 109.641 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.0 p -49.47 156.29 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 38.04 3.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -145.52 -62.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -39.09 1.91 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -61.69 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.079 0.942 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -40.28 -41.8 1.4 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.782 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' GLN . 2.6 tt0 -71.36 -53.41 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 3.4 t80 -43.8 -27.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.76 -41.95 82.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' CMC' ' A' ' 238' ' ' HEM . 68.0 mm-40 -51.54 -37.57 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -88.03 47.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -151.4 68.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.06 -72.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.02 -9.79 56.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.343 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -116.88 -88.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.69 -158.08 28.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.12 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -107.0 145.05 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 3.0 mt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.65 -6.92 34.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -119.93 24.57 10.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.557 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 16.9 mtt -114.75 -172.53 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -50.99 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -82.77 8.12 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -101.46 -30.17 11.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -90.15 -36.3 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 1.9 ttpt -51.31 -62.31 3.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 47.8 Cg_exo -25.88 -45.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.259 3.306 . . . . 0.0 109.664 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' O ' ' C ' ' A' ' 53' ' ' ASP . 45.3 m80 -81.61 -60.0 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.541 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' C ' ' O ' ' A' ' 52' ' ' HIS . 27.5 p-10 23.05 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.08 61.57 1.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 52' ' ' HIS . 6.5 mt -143.81 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -148.5 133.68 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.65 164.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' ALA . 14.0 m -56.34 -70.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.83 -48.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -38.28 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -109.61 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' PRO . 92.5 m-70 -87.82 58.38 4.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -40.18 98.33 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 59' ' ' ALA . 35.8 Cg_exo -63.52 -56.68 0.48 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.32 3.347 . . . . 0.0 109.593 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -81.99 60.56 4.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 172.55 -59.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -64.56 169.94 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -132.87 134.02 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -33.01 129.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.41 11.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.113 . . . . 0.0 111.055 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -101.19 144.95 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -117.73 89.73 34.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 71' ' ' GLU . 89.8 Cg_exo -49.64 132.31 30.42 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.326 3.351 . . . . 0.0 109.612 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.0 p -88.19 138.6 31.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.401 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 28.3 m -67.57 -42.72 82.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.56 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.456 ' N ' ' C ' ' A' ' 75' ' ' CYS . 6.2 m -52.57 -42.98 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 16.5 m -117.87 -48.15 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 43.5 m-70 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -92.48 32.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -104.51 16.55 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.762 ' O ' HG23 ' A' ' 84' ' ' THR . . . 98.71 -18.17 57.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.83 134.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.4 p -132.14 157.02 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.49 156.57 15.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.848 HMC2 ' HB3' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.833 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.639 ' CBC' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.807 HMD1 HBD1 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.99 102.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.44 160.99 26.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.0 p -66.7 159.66 27.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -38.22 86.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -59.47 -37.46 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -69.1 -51.88 34.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 69' ' ' VAL . 77.6 t80 -50.33 -37.5 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 30.2 m80 -75.09 -37.08 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 6' ' ' ALA . 3.8 t -56.53 -55.05 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.5 -20.12 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.56 19.36 20.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.61 -80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.0 -166.32 35.59 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 88.6 m -75.7 -21.42 57.58 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 3.3 mp0 -83.26 12.87 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.9 OUTLIER -71.32 -31.05 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -139.36 17.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.538 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 39.7 m-70 -134.24 130.76 37.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.68 120.99 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 40.22 42.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.64 53.61 40.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.12 82.73 16.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.041 0.924 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.27 122.84 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.301 3.334 . . . . 0.0 109.617 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -50.42 153.48 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.07 37.17 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.0 p-10 -147.47 -62.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.76 -29.87 5.04 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.52 -54.99 23.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.076 0.941 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -50.77 -45.98 59.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.807 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -49.0 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -46.14 -24.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.52 -43.06 70.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' O ' HMC3 ' A' ' 238' ' ' HEM . 74.9 mm-40 -48.6 -37.58 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 m -88.99 46.62 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.39 63.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -72.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.14 -9.86 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 108.269 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -117.2 -88.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 0.0 109.594 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 -153.82 25.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -109.59 148.87 30.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 53' ' ' ASP . 2.7 mt -56.09 -34.56 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . . . -69.06 -7.98 40.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -114.04 20.96 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.555 ' HE1' HBB2 ' A' ' 261' ' ' HEM . 32.9 mtt -117.55 -173.11 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -49.17 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 2.0 m-20 -81.67 6.63 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -101.23 -31.07 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 40.9 m80 -85.4 -35.03 21.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 3.7 mtpt -52.59 -66.81 0.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.5 Cg_exo -29.81 -43.2 0.09 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.329 3.353 . . . . 0.0 109.577 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.6 ' O ' ' C ' ' A' ' 53' ' ' ASP . 41.4 m80 -81.12 -48.04 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.606 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.638 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 31.1 t70 -21.21 103.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.78 53.71 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD13 HAD2 ' A' ' 278' ' ' HEM . 6.3 mt -160.11 -64.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -127.91 151.63 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.8 mpp? -75.58 174.52 9.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.1 m -64.57 -70.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 108.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.18 -51.87 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 57' ' ' MET . 3.2 m-20 -36.98 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.516 ' HB2' ' C2C' ' A' ' 261' ' ' HEM . 0.5 OUTLIER -107.37 -54.48 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' PRO . 94.3 m-70 -84.29 54.14 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.548 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -39.1 97.77 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.2 Cg_exo -63.02 -56.28 0.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.334 3.356 . . . . 0.0 109.576 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -79.55 55.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.581 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 179.72 -61.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.27 148.91 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -114.36 135.89 53.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.3 t -34.94 130.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.76 37.26 9.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.81 127.24 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 1.5 pttm -104.27 108.38 60.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -48.04 157.11 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.305 3.337 . . . . 0.0 109.617 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.8 p -112.87 130.61 56.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 79' ' ' HIS . 3.6 m -61.49 -25.48 67.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -65.32 -10.31 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 59.7 m -89.15 13.89 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.567 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 2.0 m -163.52 -55.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 108.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 75' ' ' CYS . 91.0 m-70 -90.76 131.61 36.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -123.18 36.2 4.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -117.1 23.43 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.952 ' O ' HG23 ' A' ' 84' ' ' THR . . . 90.18 -15.56 59.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.1 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.952 HG23 ' O ' ' A' ' 82' ' ' GLY . 12.0 p -136.64 156.31 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.35 154.75 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.353 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.803 HBD1 HMD2 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.58 HMA2 HBA2 ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.555 HBB2 ' HE1' ' A' ' 45' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.567 ' C2C' ' HB2' ' A' ' 78' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 150.1 24.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.15 124.19 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.6 p -45.18 159.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -37.82 88.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -61.86 -29.99 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' VAL . 30.6 tt0 -72.58 -61.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -42.31 -39.31 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.491 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -73.06 -39.77 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 6' ' ' ALA . 4.0 t -56.44 -55.89 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.65 -19.98 2.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mtm -100.99 17.61 21.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.41 -77.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 17' ' ' ASN . . . 161.53 -165.86 35.74 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 99.6 m -75.24 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 2.3 mt-10 -83.93 12.3 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' HB3' HMC2 ' A' ' 218' ' ' HEM . 0.6 OUTLIER -72.85 -25.69 61.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 2.8 m -147.7 26.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 45.1 m-70 -146.15 135.73 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.43 36.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.65 38.76 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.88 59.7 10.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.44 73.92 17.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.108 0.956 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.33 118.83 1.49 Allowed 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.73 155.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.84 39.16 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 1.7 p-10 -145.08 -63.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.13 -37.97 2.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.073 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.37 85.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.08 0.943 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -49.55 -45.2 47.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.817 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -49.83 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 4.6 t80 -45.67 -27.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -42.57 81.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -54.6 -36.01 63.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.86 48.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.01 63.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.2 t -165.78 -73.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.3 m -66.86 -12.38 59.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.63 -88.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.7 -153.92 25.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.86 147.58 30.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' HG ' ' CBB' ' A' ' 261' ' ' HEM . 2.6 mt -55.33 -35.06 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 53' ' ' ASP . . . -70.3 -6.48 35.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -120.47 25.54 9.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.536 ' HE3' HBB2 ' A' ' 261' ' ' HEM . 20.1 mtt -116.35 -172.36 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.35 179.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.559 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 15.0 t70 -83.21 8.94 11.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -102.84 -30.66 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 66.0 m80 -88.78 -35.15 16.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.645 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 51' ' ' PRO . 3.6 ttpt -53.56 -60.89 6.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 17.2 Cg_exo -27.71 -43.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.315 3.343 . . . . 0.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' O ' ' C ' ' A' ' 53' ' ' ASP . 43.0 m80 -82.5 -60.81 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.627 ' C ' ' O ' ' A' ' 52' ' ' HIS . 4.0 t0 20.25 89.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.68 65.49 1.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' C3D' ' A' ' 278' ' ' HEM . 7.0 mt -153.21 -45.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.812 HD13 HMC3 ' A' ' 261' ' ' HEM . 0.1 OUTLIER -147.72 153.8 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -77.16 164.29 25.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 61' ' ' CYS . 11.7 m -57.58 -70.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.327 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -40.63 -52.61 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 57' ' ' MET . 4.8 m-20 -37.12 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.492 ' HB2' ' CMC' ' A' ' 261' ' ' HEM . 0.1 OUTLIER -107.84 -44.65 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' PRO . 88.9 m-70 -96.1 51.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.646 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.83 97.23 0.13 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' HIS . 31.6 Cg_exo -62.84 -56.35 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.34 3.36 . . . . 0.0 109.575 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.18 60.53 3.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.06 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -67.79 171.33 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -136.32 135.42 38.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' LYS . 2.2 t -37.05 130.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.92 37.7 11.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -118.43 130.79 56.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -108.19 105.35 56.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -47.61 155.82 1.32 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.289 3.326 . . . . 0.0 109.589 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.1 p -108.66 130.54 55.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 79' ' ' HIS . 2.7 m -68.12 -41.75 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.29 -27.1 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.425 ' N ' ' C ' ' A' ' 75' ' ' CYS . 68.5 m -61.54 -43.65 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.579 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 8.8 m -106.7 -53.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 75' ' ' CYS . 47.9 m-70 -93.88 93.35 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -90.87 34.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -108.04 18.37 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.858 ' O ' HG23 ' A' ' 84' ' ' THR . . . 94.55 -17.57 58.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -34.96 128.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 82' ' ' GLY . 10.4 p -130.58 156.88 44.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.97 159.73 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.824 HMA1 HBA1 ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.754 HMA2 ' CBA' ' A' ' 238' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.812 HMC3 HD13 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.632 ' C4C' HD21 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -126.22 146.86 49.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 141.41 58.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 p -56.45 163.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD11 HMA3 ' A' ' 238' ' ' HEM . 0.4 OUTLIER -70.07 -44.19 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.78 -31.63 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -72.43 -47.67 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' CG ' HG21 ' A' ' 69' ' ' VAL . 80.0 t80 -57.16 -32.21 66.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.501 ' CE1' ' NA ' ' A' ' 238' ' ' HEM . 37.8 m80 -80.41 -20.06 44.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 6' ' ' ALA . 6.4 t -76.64 -52.65 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -50.27 -28.23 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 14.9 ptp -98.51 16.94 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . 178.51 -89.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA2' HG13 ' A' ' 10' ' ' VAL . . . 170.67 -164.49 37.71 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 94.6 m -77.17 -16.49 59.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 19' ' ' HIS . 5.4 mp0 -84.66 14.07 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.6 -25.96 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 17' ' ' ASN . 1.7 m -147.31 23.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.27 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CE1' ' ND ' ' A' ' 218' ' ' HEM . 37.5 m-70 -141.44 131.38 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 117.67 29.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 40.87 39.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.38 61.17 7.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -144.22 67.31 14.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.21 122.68 1.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.314 3.342 . . . . 0.0 109.601 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 162.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -114.35 36.72 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 2.1 p-10 -148.17 -62.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.4 -37.59 2.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.52 66.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.102 0.953 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -57.58 -44.92 85.72 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -48.63 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' HB2' ' CG ' ' A' ' 57' ' ' MET . 3.9 t80 -46.33 -27.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -41.19 73.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.228 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -56.18 -34.96 66.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.92 47.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.13 62.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.18 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -68.92 -10.44 57.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -118.82 -88.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.599 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.68 -149.99 21.58 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.64 152.44 31.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' CAB' ' A' ' 261' ' ' HEM . 2.3 mt -58.64 -27.9 65.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.02 ' HB2' ' OD1' ' A' ' 53' ' ' ASP . . . -75.57 -2.53 29.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -122.46 26.32 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.493 ' HE1' ' C2B' ' A' ' 261' ' ' HEM . 21.0 mtt -121.24 -172.45 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.83 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 51' ' ' PRO . 1.8 t70 -83.21 8.03 14.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.68 -31.58 10.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 44.0 m80 -85.98 -36.04 20.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.55 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 30.4 mtmt -51.74 -68.14 0.44 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' LYS . 87.8 Cg_exo -30.25 -47.25 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.587 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.626 ' O ' ' C ' ' A' ' 53' ' ' ASP . 38.6 m80 -74.46 -49.42 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 1.02 ' OD1' ' HB2' ' A' ' 43' ' ' ALA . 22.9 t0 -18.85 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.46 52.67 2.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 mt -156.25 -66.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD11 HMC2 ' A' ' 261' ' ' HEM . 0.3 OUTLIER -126.2 151.88 46.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.469 ' CB ' ' OD1' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -75.14 169.74 17.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' CYS . 8.3 m -61.29 -69.96 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' CYS . . . -38.6 -51.64 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HB2' HD12 ' A' ' 56' ' ' LEU . 1.2 m-20 -37.24 -31.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.572 ' SG ' HD11 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -107.84 -50.41 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' PRO . 93.1 m-70 -89.17 55.56 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 67' ' ' ALA . . . -38.76 97.04 0.12 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' HIS . 36.3 Cg_exo -64.76 -56.27 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.31 3.34 . . . . 0.0 109.594 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -82.58 60.61 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.43 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 63' ' ' ALA . . . -62.91 -176.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' VAL . 2.8 mttt -146.83 136.48 23.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 8' ' ' PHE . 2.6 t -35.3 130.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.75 37.49 11.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 141.13 36.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -116.32 89.72 27.33 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.27 133.15 15.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.345 3.363 . . . . 0.0 109.598 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.2 p -87.93 129.26 35.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 79' ' ' HIS . 6.0 m -64.0 -41.78 97.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 108.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.6 -27.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 75' ' ' CYS . 11.7 m -56.98 -41.96 79.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 278' ' ' HEM . 20.8 m -114.14 -50.61 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.319 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' CYS . 57.0 m-70 -94.04 90.45 6.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -90.96 34.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -108.53 18.54 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.843 ' O ' HG23 ' A' ' 84' ' ' THR . . . 97.81 -15.33 61.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' GLY . 0.0 OUTLIER -35.24 129.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 82' ' ' GLY . 15.4 p -130.57 156.73 44.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.74 149.2 49.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' HEM . . . . . 0.586 HMD2 ' CGD' ' A' ' 218' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' HEM . . . . . 0.599 HMA3 HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' HEM . . . . . 0.634 HMC2 HD11 ' A' ' 56' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' HEM . . . . . 0.581 ' CGD' HMD2 ' A' ' 278' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_