data_2lzz_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 2lzz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.504 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.504 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.471 0.177 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.612 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.612 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 22.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.406 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.51 0.195 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.499 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 24.6 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.512 0.196 . . . . 1.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.49 ' CG2' ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.62 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.62 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.446 ' SG ' ' NZ ' ' A' ' 64' ' ' LYS . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.503 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 10.4 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.481 0.182 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.568 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.473 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.589 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 17.9 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 26.0 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' C ' ' CG ' ' A' ' 26' ' ' ASP . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.568 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 17.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.497 0.189 . . . . 1.0 111.011 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.453 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 8.8 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.492 0.186 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.518 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 1.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.415 ' CB ' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.498 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.459 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.452 0.168 . . . . 1.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.596 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.425 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 22.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.506 0.193 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.597 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.597 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.5 t-80 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLN . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 6.8 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.485 0.183 . . . . 1.0 110.998 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.594 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.617 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 25.6 t-80 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.617 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.489 0.185 . . . . 1.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.459 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.494 0.188 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 13.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 1.0 111.016 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' HIS . 30.7 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 26' ' ' ASP . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.455 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.504 0.192 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.604 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.4 m170 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' CG2' ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.604 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.436 ' CG2' ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 23.3 t-80 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.581 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 28.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' A' ' 62' ' ' PRO . 65.8 m170 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 52' ' ' LYS . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.581 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.169 . . . . 1.0 110.968 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.427 ' CG2' ' HE3' ' A' ' 52' ' ' LYS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.2 t-80 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.501 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.481 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.08 -45.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.2 t0 -38.15 117.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.504 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.473 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.504 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.1 t80 -55.99 168.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 173.56 -137.15 3.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HE2' ' C2A' ' A' ' 103' ' ' HEM . 1.3 ttmt -79.95 -78.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -34.22 -44.27 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 2.6 mmt -50.99 -58.65 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.612 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.612 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.544 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.571 ' C2B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.564 ' C2A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -41.94 -44.4 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.0 t0 -39.12 121.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' CMB' ' A' ' 102' ' ' HEM . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD12 ' C1B' ' A' ' 102' ' ' HEM . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' LYS . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 22.4 t80 -60.58 146.92 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.52 -35.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 1.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -161.06 -82.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 1.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -37.4 -52.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.431 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -45.34 -44.56 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 110.971 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.533 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.551 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.434 ' CAA' ' HA2' ' A' ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.583 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.551 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.2 t0 -86.08 -34.58 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' ASP . 6.1 t0 -39.63 114.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.499 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.499 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD13 ' C1B' ' A' ' 102' ' ' HEM . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 24.6 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 25.4 t80 -70.33 152.39 44.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 173.96 -30.88 0.1 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -166.77 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 1.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.37 -53.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt -47.52 -52.65 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 1.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.459 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.546 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.561 ' C2B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.583 ' C1B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.571 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -45.64 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -41.08 109.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.503 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.49 ' CG2' ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -67.69 127.43 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.73 -42.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -157.65 -80.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 1.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -33.04 -52.96 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 1.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt -47.28 -57.12 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.438 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.62 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.62 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' NZ ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.446 ' SG ' ' NZ ' ' A' ' 64' ' ' LYS . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.467 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.577 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.546 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.3 -45.95 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 7.6 t0 -39.54 120.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.503 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' O2A' ' A' ' 103' ' ' HEM . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 ' C1B' ' A' ' 102' ' ' HEM . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 10.4 t80 -70.3 145.16 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.13 -36.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -160.85 -80.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 1.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -35.48 -54.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm -45.82 -50.28 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.52 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.568 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.494 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.581 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.545 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -39.97 -41.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' ASP . 51.5 t0 -39.34 123.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 1.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD12 ' CMD' ' A' ' 103' ' ' HEM . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 ' CMB' ' A' ' 102' ' ' HEM . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD11 ' C1B' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 17.9 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' HB3' ' C4B' ' A' ' 101' ' ' HEM . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 26.0 t80 -62.06 102.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.96 -28.91 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 1.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ttmt -169.35 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.7 tp10 -36.33 -48.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -58.03 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 1.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.476 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.4 ' HE1' ' C4D' ' A' ' 103' ' ' HEM . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.604 ' C2B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.6 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.535 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -45.38 -35.45 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.3 t0 -37.75 114.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.595 ' ND2' ' C3A' ' A' ' 103' ' ' HEM . 3.2 m-20 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG13 ' CMB' ' A' ' 102' ' ' HEM . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.512 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' C ' ' CG ' ' A' ' 26' ' ' ASP . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 33.5 t80 -70.62 156.0 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 168.25 -28.88 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 1.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -169.81 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 1.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.83 -52.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm -48.52 -52.35 22.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.498 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.568 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.451 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.41 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.572 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.595 ' C3A' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.621 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.19 -39.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.8 t0 -39.18 116.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.512 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG13 ' CMB' ' A' ' 102' ' ' HEM . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' C1B' ' A' ' 102' ' ' HEM . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 40.2 m80 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 17.8 t80 -68.81 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.33 -37.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -157.62 -80.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.717 . . . . 1.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -34.76 -51.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 1.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -49.25 -54.7 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.43 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.571 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.549 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.04 -37.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 1.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' ASP . 1.4 t70 -40.13 128.71 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.493 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.592 HD11 ' C1B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.453 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 8.8 t80 -72.46 146.96 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.94 -36.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 1.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -159.32 -80.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.78 . . . . 1.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -37.82 -53.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt -44.54 -46.07 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.529 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.58 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.458 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.592 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.549 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -44.28 -37.63 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -36.08 126.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.482 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD12 ' C1B' ' A' ' 102' ' ' HEM . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG13 ' CMC' ' A' ' 101' ' ' HEM . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.518 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 -62.52 102.55 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.96 -29.61 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 1.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 39.0 tttt -170.79 -77.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.48 -48.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -58.91 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.415 ' CB ' ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.484 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.578 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.528 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' CB ' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.14 -45.94 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' OD1' ' CB ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.68 114.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 1.0 109.284 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.498 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.592 HD12 ' C1B' ' A' ' 102' ' ' HEM . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 26' ' ' ASP . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.459 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 -70.42 151.21 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 175.95 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -164.55 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -36.42 -45.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.23 -55.65 25.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.596 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.425 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.539 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.469 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.592 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.539 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.3 t0 -79.87 -34.22 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' ASP . 61.4 t0 -38.99 111.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' CMD' ' A' ' 103' ' ' HEM . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG11 ' CMB' ' A' ' 102' ' ' HEM . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD11 ' C1B' ' A' ' 102' ' ' HEM . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG13 ' CMC' ' A' ' 101' ' ' HEM . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 22.0 t80 -72.59 101.64 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.02 -27.66 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -174.98 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' LYS . 7.6 tp10 -37.09 -47.98 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -51.54 -58.34 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.597 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.597 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.467 ' CAA' ' HA2' ' A' ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.57 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.55 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.641 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -100.03 -32.96 10.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -36.29 140.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 1.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD13 ' C1B' ' A' ' 102' ' ' HEM . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.5 t-80 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.641 ' N ' ' HD2' ' A' ' 2' ' ' ASP . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.603 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 6.8 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 -61.04 108.25 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.25 -38.74 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -161.72 -80.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -33.83 -45.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -50.8 -60.99 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.594 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.401 ' HE1' ' C4D' ' A' ' 103' ' ' HEM . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.603 ' C2B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.614 ' C1B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -81.77 -35.35 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.2 t0 -38.91 114.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.617 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 25.6 t-80 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.617 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -67.61 137.51 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.39 -37.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.7 tttt -156.7 -80.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 1.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 1.1 tp10 -35.24 -54.19 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt -47.3 -53.3 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.439 ' CMC' ' CBC' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.579 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.541 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -73.75 -40.72 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' ASP . 45.5 t0 -37.71 114.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 ' C1B' ' A' ' 102' ' ' HEM . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -67.99 98.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.37 -22.08 1.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 1.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 tmtt? 179.53 -73.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 1.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 tp10 -38.92 -49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 1.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt -51.76 -57.27 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 1.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.477 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.586 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.551 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.478 ' CBA' ' HA2' ' A' ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.581 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.551 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -37.04 40.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -43.69 123.26 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD11 ' C1B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 13.6 t80 -69.66 105.37 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . . . -150.48 9.52 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER 162.13 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 1.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -33.84 -54.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -49.54 -56.27 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.0 111.016 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.55 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.467 ' CAA' ' HA2' ' A' ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.581 ' C1B' HD11 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.561 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' HIS . 4.5 t0 -47.51 -58.05 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -94.93 110.35 22.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.501 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD13 ' C1B' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 30.7 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 26' ' ' ASP . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.455 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 8.7 t80 -68.37 148.46 50.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 179.92 -34.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -160.07 -81.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -38.47 -48.82 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 1.0 110.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -48.41 -47.57 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.604 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.4 m170 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' CG2' ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.604 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.436 ' CG2' ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.604 ' C2B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.579 ' C1B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.55 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -102.62 -33.11 9.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.0 t0 -38.77 120.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD13 ' C3B' ' A' ' 102' ' ' HEM . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' CB ' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 23.3 t-80 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.581 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 28.9 t80 -66.57 103.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.96 -36.09 0.32 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 1.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 10.7 tmtt? -165.61 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLY . 10.3 tp10 -36.44 -47.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.59 -55.35 13.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HB1' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' A' ' 62' ' ' PRO . 65.8 m170 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 52' ' ' LYS . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.491 ' CMD' ' O1D' ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.567 ' C3B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.548 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -39.57 -37.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -39.81 115.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.588 ' ND2' ' C3A' ' A' ' 103' ' ' HEM . 2.4 m-20 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD12 ' C1B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 -64.7 145.49 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.47 -33.91 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -160.98 -80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 1.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 3.3 tp10 -36.78 -51.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -48.47 -52.52 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.968 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.616 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.427 ' CG2' ' HE3' ' A' ' 52' ' ' LYS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . 0.492 ' CBA' ' HA2' ' A' ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.583 ' C1B' HD12 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.588 ' C3A' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -52.17 -34.4 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -38.63 113.96 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' O ' ' CG2' ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' CD1' ' O1D' ' A' ' 103' ' ' HEM . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HG3' ' CE ' ' A' ' 14' ' ' LYS . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.2 t-80 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' CA ' ' OD1' ' A' ' 2' ' ' ASP . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 -61.73 140.92 58.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.51 -37.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLU . 9.4 tmtt? -160.57 -84.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLY . 2.3 tp10 -37.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -51.84 -53.38 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.428 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.501 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' CG2' ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.539 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HEM . . . . . 0.578 ' C2B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HEM . . . . . 0.539 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG11 ' OD1' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG11 ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.706 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 24' ' ' VAL . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.471 0.177 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.694 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.51 0.195 . . . . 1.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.533 HG11 ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 44.7 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.512 0.196 . . . . 1.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.663 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.826 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.831 ' OE2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.831 HG23 ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 18.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.645 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.668 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG11 ' OD2' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' OD2' HG11 ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 24' ' ' VAL . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.4 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.481 0.182 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.649 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.536 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.589 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 46.1 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.646 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.531 HG11 ' OD1' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.531 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.849 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 17.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.497 0.189 . . . . 1.0 111.011 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.69 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.591 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 8.8 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.492 0.186 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.651 ' HB3' HG23 ' A' ' 63' ' ' THR . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.726 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.875 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 1.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.67 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.67 HG22 ' CD ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.626 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.452 0.168 . . . . 1.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 46' ' ' ALA . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.63 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.709 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.933 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.933 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.506 0.193 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.704 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 70.5 t60 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLN . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.574 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.485 0.183 . . . . 1.0 110.998 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.805 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.622 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.593 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.805 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.845 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.1 t60 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.489 0.185 . . . . 1.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.707 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.707 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.952 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.494 0.188 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.664 ' HB3' HG23 ' A' ' 63' ' ' THR . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 4' ' ' ILE . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.687 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 13.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 1.0 111.016 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HG ' ' HA ' ' A' ' 46' ' ' ALA . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.65 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' HIS . 55.8 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 24' ' ' VAL . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.474 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.504 0.192 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.535 ' HB3' HG23 ' A' ' 63' ' ' THR . 5.7 m-70 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.652 ' HG2' HG22 ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' HA3' ' ND1' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' HB3' ' O ' ' A' ' 67' ' ' GLU . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.652 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.923 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' LEU . 56.8 t60 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 28.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.481 ' HB3' HG23 ' A' ' 63' ' ' THR . 5.4 m-70 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 63' ' ' THR . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.408 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.743 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.435 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.169 . . . . 1.0 110.968 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 46' ' ' ALA . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 63' ' ' THR . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.66 ' HB3' HG23 ' A' ' 63' ' ' THR . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.742 ' OD1' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.724 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.742 HG23 ' OD1' ' A' ' 3' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.913 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 60.4 t60 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.701 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.701 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.08 -45.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.2 t0 -38.15 117.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG11 ' OD1' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.662 HD13 ' O1D' ' A' ' 103' ' ' HEM . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.473 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG11 ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.706 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 24' ' ' VAL . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.1 t80 -55.99 168.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 173.56 -137.15 3.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HE2' ' C2A' ' A' ' 103' ' ' HEM . 1.3 ttmt -79.95 -78.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -34.22 -44.27 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 2.6 mmt -50.99 -58.65 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.473 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.545 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.129 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.662 ' O1D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -41.94 -44.4 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.0 t0 -39.12 121.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.694 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.744 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -60.58 146.92 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.52 -35.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 1.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -161.06 -82.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 1.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -37.4 -52.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.431 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -45.34 -44.56 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 110.971 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.552 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.551 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.744 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.149 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.967 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.2 t0 -86.08 -34.58 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' ASP . 6.1 t0 -39.63 114.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.533 HG11 ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.817 HD22 ' O1D' ' A' ' 103' ' ' HEM . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 24.6 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 25.4 t80 -70.33 152.39 44.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 173.96 -30.88 0.1 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -166.77 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 1.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.37 -53.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt -47.52 -52.65 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 1.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.459 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.509 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.663 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.546 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.596 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.126 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.976 ' O2D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -45.64 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -41.08 109.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.503 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.826 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.831 ' OE2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.831 HG23 ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 18.5 t80 -67.69 127.43 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.73 -42.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -157.65 -80.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 1.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -33.04 -52.96 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 1.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt -47.28 -57.12 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.645 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.668 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.524 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.069 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.546 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.3 -45.95 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 7.6 t0 -39.54 120.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG11 ' OD2' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' O2A' ' A' ' 103' ' ' HEM . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' OD2' HG11 ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 24' ' ' VAL . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.4 t80 -70.3 145.16 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.13 -36.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -160.85 -80.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 1.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -35.48 -54.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm -45.82 -50.28 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.535 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.649 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.59 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.495 HBC1 ' C1C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.109 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.59 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -39.97 -41.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' ASP . 51.5 t0 -39.34 123.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 1.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD13 ' O1D' ' A' ' 103' ' ' HEM . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.853 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.592 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.746 ' NE2' ' C2B' ' A' ' 101' ' ' HEM . 46.1 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' HB3' ' C4B' ' A' ' 101' ' ' HEM . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t80 -62.06 102.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -133.96 -28.91 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 1.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ttmt -169.35 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.7 tp10 -36.33 -48.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -58.03 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 1.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.646 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.746 ' C2B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.146 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.572 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -45.38 -35.45 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.3 t0 -37.75 114.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' CGD' ' A' ' 103' ' ' HEM . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' O ' HBD2 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.54 ' ND2' ' O1A' ' A' ' 103' ' ' HEM . 1.7 m120 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.657 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 33.5 t80 -70.62 156.0 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 168.25 -28.88 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 1.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -169.81 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 1.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.83 -52.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm -48.52 -52.35 22.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.498 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.657 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.117 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.747 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.621 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.19 -39.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.8 t0 -39.18 116.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.531 HG11 ' OD1' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.849 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.2 m80 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.437 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 17.8 t80 -68.81 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.33 -37.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -157.62 -80.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.717 . . . . 1.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -34.76 -51.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 1.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -49.25 -54.7 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.534 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CG ' HAD1 ' A' ' 102' ' ' HEM . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.597 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.69 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.556 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.682 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.13 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.556 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.04 -37.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 1.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' ASP . 1.4 t70 -40.13 128.71 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 ' O2D' ' A' ' 101' ' ' HEM . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.493 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.615 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 8.8 t80 -72.46 146.96 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.94 -36.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 1.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -159.32 -80.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.78 . . . . 1.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -37.82 -53.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt -44.54 -46.07 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.651 ' HB3' HG23 ' A' ' 63' ' ' THR . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.617 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.608 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.094 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.549 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -44.28 -37.63 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -36.08 126.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.726 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.585 HD13 ' O1D' ' A' ' 103' ' ' HEM . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.482 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.875 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HG2' HBC1 ' A' ' 102' ' ' HEM . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 -62.52 102.55 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -132.96 -29.61 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 1.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 39.0 tttt -170.79 -77.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.48 -48.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -58.91 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.486 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.67 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.67 HG22 ' CD ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.657 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.504 HBC1 ' C1C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.108 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.657 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.96 ' HB3' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.14 -45.94 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.96 ' OD1' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.68 114.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 1.0 109.284 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.626 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.634 ' SG ' HMC3 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 -70.42 151.21 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 175.95 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -164.55 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -36.42 -45.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.23 -55.65 25.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.63 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.709 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.562 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 0.839 ' C2B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.3 t0 -79.87 -34.22 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' ASP . 61.4 t0 -38.99 111.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.582 HD13 ' O2D' ' A' ' 103' ' ' HEM . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.933 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.933 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.694 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.0 t80 -72.59 101.64 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.02 -27.66 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -174.98 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' LYS . 7.6 tp10 -37.09 -47.98 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -51.54 -58.34 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.704 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.694 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.582 ' O2D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' HB1' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -100.03 -32.96 10.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.56 ' OD1' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.29 140.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 1.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD21 ' O2D' ' A' ' 101' ' ' HEM . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.5 t-80 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' CA ' ' OD2' ' A' ' 2' ' ' ASP . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.74 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.603 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 6.8 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 -61.04 108.25 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -136.25 -38.74 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -161.72 -80.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -33.83 -45.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -50.8 -60.99 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.805 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.622 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.593 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.805 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.74 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.144 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -81.77 -35.35 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.2 t0 -38.91 114.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 ' O1D' ' A' ' 101' ' ' HEM . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.845 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.617 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 25.6 t-80 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.617 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -67.61 137.51 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.39 -37.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.7 tttt -156.7 -80.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 1.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 1.1 tp10 -35.24 -54.19 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt -47.3 -53.3 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.707 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.707 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' O ' HMC1 ' A' ' 103' ' ' HEM . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.605 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.09 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.541 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -73.75 -40.72 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' ASP . 45.5 t0 -37.71 114.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.536 HD21 ' O1D' ' A' ' 101' ' ' HEM . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.952 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.53 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.3 t80 -67.99 98.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.37 -22.08 1.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 1.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 tmtt? 179.53 -73.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 1.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 tp10 -38.92 -49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 1.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt -51.76 -57.27 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 1.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.664 ' HB3' HG23 ' A' ' 63' ' ' THR . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.536 ' O1D' HD21 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.55 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -37.04 40.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -43.69 123.26 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 4' ' ' ILE . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD21 ' O2D' ' A' ' 101' ' ' HEM . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.828 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.687 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.573 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 13.6 t80 -69.66 105.37 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . . . -150.48 9.52 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER 162.13 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 1.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -33.84 -54.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -49.54 -56.27 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.0 111.016 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.65 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.549 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.561 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' HIS . 4.5 t0 -47.51 -58.05 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -94.93 110.35 22.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.646 HD21 ' O2D' ' A' ' 101' ' ' HEM . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.501 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.754 ' NE2' ' C2B' ' A' ' 101' ' ' HEM . 55.8 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 24' ' ' VAL . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.654 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 8.7 t80 -68.37 148.46 50.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 179.92 -34.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -160.07 -81.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -38.47 -48.82 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 1.0 110.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -48.41 -47.57 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.604 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.4 m170 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.652 ' HG2' HG22 ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.604 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.652 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.754 ' C2B' ' NE2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.133 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.589 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -102.62 -33.11 9.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.0 t0 -38.77 120.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.805 HD21 ' O1D' ' A' ' 101' ' ' HEM . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.923 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 23.3 t-80 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.651 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.581 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 28.9 t80 -66.57 103.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -131.96 -36.09 0.32 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 1.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 10.7 tmtt? -165.61 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLY . 10.3 tp10 -36.44 -47.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.59 -55.35 13.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.512 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 62' ' ' PRO . 65.8 m170 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 63' ' ' THR . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.805 ' O1D' HD21 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.1 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.548 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -39.57 -37.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -39.81 115.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.662 HD22 ' O2D' ' A' ' 103' ' ' HEM . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' OD1' ' C3A' ' A' ' 103' ' ' HEM . 1.3 m120 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.845 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.743 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.595 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.491 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 -64.7 145.49 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.47 -33.91 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -160.98 -80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 1.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 3.3 tp10 -36.78 -51.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -48.47 -52.52 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.968 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.517 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 63' ' ' THR . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.66 ' HB3' HG23 ' A' ' 63' ' ' THR . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.595 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.542 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.621 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.154 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.979 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -52.17 -34.4 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.742 ' OD1' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -38.63 113.96 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.724 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.742 HG23 ' OD1' ' A' ' 3' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD13 ' O1D' ' A' ' 103' ' ' HEM . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.913 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.2 t-80 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' CA ' ' OD1' ' A' ' 2' ' ' ASP . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.736 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 -61.73 140.92 58.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.51 -37.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLU . 9.4 tmtt? -160.57 -84.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLY . 2.3 tp10 -37.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -51.84 -53.38 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.453 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.701 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.701 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.538 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HEM . . . . . 0.736 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HEM . . . . . 0.814 ' O1D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG11 ' OD1' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG11 ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.706 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 24' ' ' VAL . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.471 0.177 . . . . 1.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.257 -0.645 . . . . 1.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.694 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.51 0.195 . . . . 1.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.533 HG11 ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 24.6 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.512 0.196 . . . . 1.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.663 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.826 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.831 ' OE2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.831 HG23 ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 18.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.469 0.176 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.645 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.668 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG11 ' OD2' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' OD2' HG11 ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 24' ' ' VAL . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.4 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.481 0.182 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.649 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.536 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.589 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 17.9 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.486 0.184 . . . . 1.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.646 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.493 0.187 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.531 HG11 ' OD1' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.531 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.849 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 17.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.497 0.189 . . . . 1.0 111.011 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.69 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.591 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 8.8 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.492 0.186 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.651 ' HB3' HG23 ' A' ' 63' ' ' THR . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.726 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.875 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 1.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.67 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.67 HG22 ' CD ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.626 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.452 0.168 . . . . 1.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 46' ' ' ALA . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.63 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.709 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.933 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.933 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.506 0.193 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.704 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.5 t-80 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLN . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.574 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' HIS . 6.8 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.485 0.183 . . . . 1.0 110.998 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.805 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.622 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.593 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.805 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.845 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.617 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 25.6 t-80 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.617 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.489 0.185 . . . . 1.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.707 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.707 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 17' ' ' HIS . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.952 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.494 0.188 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.664 ' HB3' HG23 ' A' ' 63' ' ' THR . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 4' ' ' ILE . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.687 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 13.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.518 0.199 . . . . 1.0 111.016 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HG ' ' HA ' ' A' ' 46' ' ' ALA . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.65 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' HIS . 30.7 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 24' ' ' VAL . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.474 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.504 0.192 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.604 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.4 m170 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.652 ' HG2' HG22 ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.604 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.652 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.0 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.923 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 23.3 t-80 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.581 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 28.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 62' ' ' PRO . 65.8 m170 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 63' ' ' THR . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.581 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.743 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' ND1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.435 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.169 . . . . 1.0 110.968 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 46' ' ' ALA . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 63' ' ' THR . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.66 ' HB3' HG23 ' A' ' 63' ' ' THR . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.742 ' OD1' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.724 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.742 HG23 ' OD1' ' A' ' 3' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 12' ' ' ASP . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.913 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.2 t-80 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.701 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.701 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.08 -45.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.2 t0 -38.15 117.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -106.59 89.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG11 ' OD1' ' A' ' 12' ' ' ASP . 22.2 t -68.5 125.06 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 HD13 ' O1D' ' A' ' 103' ' ' HEM . 57.9 mt -91.12 -172.52 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 1.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 3.6 ptpp? -102.47 137.14 41.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 174.84 103.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 1.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.57 -10.26 50.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 1.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.473 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 6.6 m120 -84.94 -1.91 57.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.89 110.62 1.59 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 1.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' OD1' HG11 ' A' ' 5' ' ' VAL . 1.5 m-20 -43.26 151.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 1.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.68 85.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.98 115.51 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 1.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.8 tp -106.6 105.03 53.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.706 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.7 Cg_exo -59.03 64.86 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.31 3.34 . . . . 1.0 109.599 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.7 t-80 -42.37 -54.48 3.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.562 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 8.3 tptt -50.4 -59.45 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.706 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.26 -47.84 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 1.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 31.5 m80 -63.32 -24.32 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.558 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.4 mt-30 -78.95 -10.38 59.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -38.95 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.63 -23.35 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 24' ' ' VAL . 40.9 t -130.22 68.85 81.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 1.0 109.239 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 77.8 Cg_exo -47.52 -22.46 2.82 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.284 3.322 . . . . 1.0 109.598 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.12 90.72 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.61 58.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -136.98 -49.23 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.28 -19.87 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.9 -32.36 7.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 1.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 90.4 m-70 -112.0 110.99 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.6 mt-10 -77.0 -98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.1 -30.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 1.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.49 -178.85 31.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 1.0 110.953 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.83 122.16 10.34 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.333 3.356 . . . . 1.0 109.625 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 141.69 -152.96 23.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 1.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -59.57 148.54 33.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 1.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.06 133.06 62.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.29 110.42 22.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 1.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.35 -43.46 1.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 1.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 42' ' ' GLY . 86.1 t80 -55.99 168.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 1.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 41' ' ' PHE . . . 173.56 -137.15 3.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HE2' ' C2A' ' A' ' 103' ' ' HEM . 1.3 ttmt -79.95 -78.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -34.22 -44.27 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 2.6 mmt -50.99 -58.65 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' LYS . . . -53.95 -37.74 64.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.3 m170 -77.21 3.69 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.07 -137.04 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -58.72 83.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 1.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.36 -45.49 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.473 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 49.6 m -139.69 -55.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.11 -49.66 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.54 -49.2 1.78 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -73.03 -40.5 65.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.3 m170 -60.59 -46.97 88.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 1.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.02 -25.83 48.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 1.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.3 tp10 -78.65 -38.4 39.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.6 mtt -93.73 -42.8 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.1 mmtp 79.01 48.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -130.93 -44.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.51 -174.52 44.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.49 140.13 26.61 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.586 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.2 p -140.03 29.52 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 1.0 110.424 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -138.51 154.69 48.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.0 -42.41 85.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 108.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.1 16.38 48.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 1.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -0.14 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 1.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.41 -62.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 108.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -71.9 108.66 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 109.609 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -129.58 104.75 7.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.545 ' C4B' ' HG2' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.129 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.662 ' O1D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -41.94 -44.4 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.0 t0 -39.12 121.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.0 mt -116.63 105.93 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.12 129.66 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 28.3 mt -101.96 153.62 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.97 130.76 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.21 103.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 1.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -11.28 56.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.1 m120 -88.18 2.07 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.62 111.04 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 1.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 4.1 m-20 -46.58 156.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 t -123.36 85.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 106.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.5 OUTLIER -100.41 120.16 57.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.694 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.3 Cg_endo -73.77 65.42 4.88 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.302 3.334 . . . . 1.0 109.617 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLN . 42.2 t-80 -38.66 -54.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 1.0 109.628 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.9 ttpp -46.7 -61.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 1.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.33 -51.14 48.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.744 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 54.5 m80 -62.33 -20.72 64.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.648 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' HIS . 21.1 mt-30 -82.33 -16.64 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.54 -34.96 6.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 1.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.84 73.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 1.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.6 96.59 23.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.52 50.06 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.275 3.316 . . . . 1.0 109.621 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.69 94.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 109.316 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.87 56.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' HIS . 4.7 mttt -134.79 -63.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -46.91 -24.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' C ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -101.58 -30.88 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 108.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 84.9 m-70 -116.54 104.04 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.567 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.8 mt-10 -68.89 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.57 -30.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 1.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 152.06 -178.55 29.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 1.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.44 121.25 9.67 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 135.24 -169.34 23.41 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.81 146.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 1.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.8 mt -113.79 132.35 63.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -90.87 120.3 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 1.0 110.241 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.03 -49.97 0.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 1.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -60.58 146.92 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 1.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.52 -35.15 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 1.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -161.06 -82.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 1.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -37.4 -52.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.431 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -45.34 -44.56 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 1.0 110.971 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -65.34 -59.29 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.1 m170 -54.07 -19.84 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.642 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -130.8 -138.17 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -56.98 85.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 1.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 176.66 -43.04 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 1.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.552 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.5 m -142.66 -57.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -69.04 -51.53 38.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 1.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.78 -46.76 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 32.0 t -75.0 -41.36 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.7 m170 -59.25 -45.94 89.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 1.0 109.587 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.77 -28.5 44.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.5 tp10 -75.89 -33.61 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.404 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 5.8 mtp -96.99 -43.69 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER 79.57 49.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -134.14 -45.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.599 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.76 -175.04 37.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.5 Cg_endo -75.13 139.92 24.5 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.292 3.328 . . . . 1.0 109.6 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -140.41 31.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 110.38 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.3 mmmt -137.99 152.79 49.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.81 -36.33 74.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.08 18.69 53.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 14.6 mt-10 -120.59 2.38 10.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.551 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.47 -63.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 108.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.7 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -150.88 110.69 4.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.289 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.744 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.149 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.967 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.2 t0 -86.08 -34.58 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' ASP . 6.1 t0 -39.63 114.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.7 mt -110.37 98.25 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.533 HG11 ' OD1' ' A' ' 12' ' ' ASP . 5.0 t -78.67 126.1 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.817 HD22 ' O1D' ' A' ' 103' ' ' HEM . 50.2 mt -90.22 171.45 9.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -95.02 121.01 36.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.32 107.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 1.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -9.43 51.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 8.0 m120 -86.35 -1.04 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.44 111.21 1.74 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.2 m-20 -43.45 149.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 1.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -118.74 85.22 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -59.37 114.86 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.5 tp -108.28 103.93 52.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 36.8 Cg_exo -59.23 65.15 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.364 3.376 . . . . 1.0 109.596 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.0 t-80 -41.6 -55.84 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' GLN . 3.2 ttpp -47.64 -65.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.9 -45.8 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 23.6 m80 -63.72 -25.29 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 24.6 mt-30 -80.45 -10.45 59.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.4 tptt -105.47 -36.86 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.93 -28.56 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.3 t -126.1 77.37 71.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.37 -17.38 12.11 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.33 3.353 . . . . 1.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.76 91.32 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.33 61.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 108.33 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptpt -140.2 -47.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -55.4 -18.96 7.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -109.24 -34.4 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 108.256 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.7 m-70 -109.78 107.13 17.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 1.0 109.582 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 mt-10 -68.58 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.37 -29.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.91 173.21 19.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 8.8 Cg_endo -48.2 124.17 9.98 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.57 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 138.67 -169.67 24.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -47.27 148.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 1.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.44 133.84 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.25 120.07 35.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 1.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.57 -43.23 1.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 1.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 25.4 t80 -70.33 152.39 44.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 1.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 173.96 -30.88 0.1 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -166.77 -79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 1.0 109.261 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.37 -53.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 1.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 30.4 mmt -47.52 -52.65 16.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 1.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.89 71.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.459 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 31.4 m170 -77.43 5.44 8.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 1.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.91 -139.03 2.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.094 . . . . 1.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 45' ' ' MET . 2.3 ttpt -59.4 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.66 -45.84 0.08 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.509 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.4 m -137.89 -55.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.663 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.63 -51.26 44.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 1.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.9 -48.41 1.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 1.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -74.05 -41.95 61.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.0 m170 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.626 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.32 -27.6 47.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.244 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 29.9 tp10 -76.98 -39.16 51.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 6.5 mtt -92.55 -42.34 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.8 mmtt 78.26 48.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 1.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 12.4 mttm -130.95 -44.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.606 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.3 -174.99 44.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 1.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.7 Cg_endo -74.69 138.62 24.1 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.591 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.663 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -138.21 28.38 2.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.367 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -137.11 154.15 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -57.55 -42.67 83.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 108.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.77 15.13 54.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.15 . . . . 1.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -114.84 -2.45 12.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.746 . . . . 1.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.546 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.19 -61.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 1.0 108.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -72.75 106.95 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -151.69 112.88 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.596 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.126 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.976 ' O2D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -45.64 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -41.08 109.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.4 mt -105.33 100.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 1.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 t -81.17 126.43 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.3 mt -95.96 147.53 23.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -75.29 122.25 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.02 108.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -11.7 58.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.503 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 12.2 m120 -86.58 0.71 53.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.91 111.65 2.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 3.8 m-20 -43.1 154.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.37 82.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -59.31 113.07 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.8 OUTLIER -107.4 104.55 52.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.826 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.7 64.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.355 3.37 . . . . 1.0 109.595 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.9 t-80 -40.51 -54.69 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 109.572 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 7.9 tptp -52.17 -57.67 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.94 -49.9 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 21.4 m80 -61.28 -27.35 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.585 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 45.4 mt-30 -75.97 -6.54 51.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.271 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -110.39 -40.99 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.13 -31.92 69.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -111.36 91.61 14.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 58.1 Cg_endo -75.56 49.84 2.52 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.311 3.341 . . . . 1.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -168.28 84.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.4 61.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 108.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.61 -51.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -21.37 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 1.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.46 -32.25 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 108.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 94.0 m-70 -113.27 103.23 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 1.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.831 ' OE2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -71.93 -100.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 1.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -37.74 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 157.35 176.29 29.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 1.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.5 Cg_endo -62.35 127.52 21.21 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.335 3.357 . . . . 1.0 109.589 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 137.73 -177.6 19.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 1.0 110.981 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -40.08 145.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.831 HG23 ' OE2' ' A' ' 32' ' ' GLU . 45.1 mt -111.62 130.4 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 1.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 119.65 33.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.83 -40.84 2.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 18.5 t80 -67.69 127.43 32.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.73 -42.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -157.65 -80.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 1.0 109.293 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -33.04 -52.96 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 1.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 12.6 mmt -47.28 -57.12 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -56.27 -42.18 77.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.7 m170 -77.07 4.04 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -154.11 -135.29 2.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.43 79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 1.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.99 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.548 1.155 . . . . 1.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 46.6 m -139.23 -55.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 1.0 108.247 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.34 -49.17 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.62 -48.82 1.8 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 1.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -73.67 -40.66 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.645 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.7 m170 -60.45 -45.5 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 1.0 109.581 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.46 -26.46 41.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.35 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 28.3 tt0 -78.52 -32.8 48.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.7 mtt -99.56 -41.87 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 1.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.59 48.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 1.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -131.6 -44.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 1.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -77.61 -174.74 42.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 61.0 Cg_endo -74.54 134.14 18.26 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.323 3.349 . . . . 1.0 109.612 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.668 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.49 25.56 3.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.399 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -133.09 154.27 50.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -59.28 -38.5 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 108.323 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.52 52.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -118.8 0.19 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 0.729 . . . . 1.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -133.29 -62.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -71.88 108.8 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.542 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.88 115.76 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.524 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.069 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.546 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.3 -45.95 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ASP . 7.6 t0 -39.54 120.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.2 mt -109.09 95.63 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG11 ' OD2' ' A' ' 12' ' ' ASP . 16.4 t -73.26 125.94 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.6 mt -95.32 150.81 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.35 119.82 20.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.81 108.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -10.05 55.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' O2A' ' A' ' 103' ' ' HEM . 10.5 m120 -87.63 0.63 55.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.58 111.46 2.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 1.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' OD2' HG11 ' A' ' 5' ' ' VAL . 2.8 m-20 -42.52 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 1.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -120.17 82.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -58.09 113.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.1 tp -107.18 105.03 54.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.4 Cg_exo -58.81 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.327 3.351 . . . . 1.0 109.627 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.5 t-80 -42.96 -54.71 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 1.0 109.639 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 5.3 tptp -50.49 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.24 -45.96 54.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 22.3 m80 -64.28 -26.18 68.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 52.5 mt-30 -78.11 -17.25 57.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -106.9 -22.44 12.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ALA . . . -85.15 -23.91 28.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 24' ' ' VAL . 25.3 t -121.39 86.34 43.7 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 18.5 Cg_exo -66.84 55.54 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.281 3.321 . . . . 1.0 109.621 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.1 m-20 -177.53 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.03 61.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -141.85 -49.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -19.69 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -108.04 -33.39 7.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 1.0 108.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 91.2 m-70 -110.46 109.19 19.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.596 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -72.29 -99.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.92 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.06 176.17 23.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 1.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 69.9 Cg_exo -55.36 121.13 9.37 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.262 3.308 . . . . 1.0 109.609 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 146.94 -154.88 26.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -63.52 149.78 45.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.23 133.84 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.03 111.45 23.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 1.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -41.96 1.5 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 1.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.4 t80 -70.3 145.16 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.79 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.13 -36.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -160.85 -80.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 1.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -35.48 -54.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 41.9 mmm -45.82 -50.28 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.98 -47.88 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.7 m170 -68.64 -4.74 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 109.571 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -145.76 -136.82 3.0 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 1.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -59.19 82.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 1.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 179.78 -44.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.535 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 37.3 m -139.76 -55.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.04 -50.82 37.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.12 -47.04 1.35 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 1.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.1 t -75.32 -42.03 55.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.614 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.31 -45.41 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -78.73 -26.88 44.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 1.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.7 tp10 -77.85 -38.03 47.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 1.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 mtt -94.53 -41.23 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 77.31 45.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 1.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 -43.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.76 -174.88 47.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 1.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.566 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.6 Cg_endo -74.38 141.14 28.22 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.272 3.314 . . . . 1.0 109.625 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.649 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -140.03 29.68 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.382 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.59 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -137.84 155.74 48.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 1.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.89 -39.67 86.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 1.0 108.256 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.19 16.72 55.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 1.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 12.0 mt-10 -118.08 0.82 11.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 1.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -134.22 -61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -72.12 107.4 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -149.93 112.39 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.495 HBC1 ' C1C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.109 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.59 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -39.97 -41.1 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 1.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' ASP . 51.5 t0 -39.34 123.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 1.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.5 mt -119.21 90.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 t -73.37 126.2 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD13 ' O1D' ' A' ' 103' ' ' HEM . 36.8 mt -95.11 160.92 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.9 124.55 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.03 106.97 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -68.27 -10.57 55.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -90.51 3.55 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.22 110.42 2.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.7 m-20 -46.92 159.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.25 84.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 105.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.853 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.6 OUTLIER -100.54 118.5 60.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.1 Cg_endo -73.84 65.71 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.329 3.353 . . . . 1.0 109.611 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 41.6 t-80 -39.28 -56.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 1.0 109.634 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 9.1 tptt -43.91 -61.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.12 -50.71 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.592 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 38.3 m80 -60.99 -23.69 65.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 1.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 17.9 mt-30 -81.88 -12.14 58.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 1.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -107.58 -36.41 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 1.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.3 -30.9 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.4 t -121.32 81.21 37.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 1.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.02 -18.07 12.48 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.358 3.372 . . . . 1.0 109.596 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.22 99.07 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' HB3' ' C4B' ' A' ' 101' ' ' HEM . 1.8 m -83.61 53.35 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 4.2 mttt -131.11 -53.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -48.01 -23.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 1.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.83 -34.06 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -110.25 108.09 18.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.559 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.5 mt-10 -75.76 -99.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.6 mptt -38.45 -30.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.35 179.8 31.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 35.7 Cg_exo -64.15 125.98 16.26 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.278 3.319 . . . . 1.0 109.566 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 139.78 -153.03 22.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 1.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -60.66 148.2 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 1.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -115.08 133.36 61.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.89 128.63 44.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.33 -42.87 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t80 -62.06 102.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -133.96 -28.91 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 1.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 ttmt -169.35 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 1.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLY . 5.7 tp10 -36.33 -48.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -58.03 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 1.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.37 -42.07 86.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.9 m170 -81.05 7.93 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 1.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.1 -134.43 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.097 . . . . 1.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -63.53 75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 1.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.51 -49.05 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 1.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.3 m -138.05 -55.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.333 -0.988 . . . . 1.0 108.333 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.31 -51.1 48.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 1.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.51 -47.65 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 1.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' MET . 31.7 t -74.39 -41.02 61.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.0 -46.01 90.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -78.37 -25.95 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tt0 -78.7 -38.65 38.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.2 mtt -94.21 -42.23 9.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.13 47.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.233 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.9 -44.69 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.7 -174.6 46.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 1.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.593 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 60.7 Cg_endo -74.77 140.75 26.52 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.274 3.316 . . . . 1.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.646 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -138.97 30.05 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 110.429 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -136.1 153.62 51.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 1.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 m -58.63 -40.82 84.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 1.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.04 17.5 50.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 1.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 18.2 mt-10 -118.48 1.99 11.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.764 . . . . 1.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -135.02 -61.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.54 108.99 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -152.25 116.54 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.604 ' C2B' ' OE1' ' A' ' 21' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.146 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.572 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -45.38 -35.45 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 1.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' ASP . 4.3 t0 -37.75 114.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.2 mt -107.85 90.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 24.5 t -70.4 129.19 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD13 ' CGD' ' A' ' 103' ' ' HEM . 57.0 mt -94.48 -177.2 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' O ' HBD2 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -98.86 131.39 45.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.64 109.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -73.94 -6.0 44.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.595 ' ND2' ' C3A' ' A' ' 103' ' ' HEM . 3.2 m-20 -91.57 0.89 57.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 1.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 110.58 1.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 2.2 m-20 -42.8 149.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 1.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.36 81.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.6 tttt -57.06 114.79 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -106.93 104.82 53.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 1.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.1 Cg_exo -58.81 64.76 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.295 3.33 . . . . 1.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.1 t-80 -41.83 -54.07 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 1.0 109.636 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -55.92 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -50.72 68.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.657 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.8 m80 -62.17 -23.71 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.569 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 56.5 mt-30 -79.88 -7.88 58.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 1.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -38.99 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 1.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.22 -34.32 70.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.59 91.52 12.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.0 Cg_endo -74.36 50.97 2.42 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.36 3.374 . . . . 1.0 109.568 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -169.37 90.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.88 57.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 108.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -135.11 -58.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -50.74 -23.64 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -102.17 -28.85 12.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 108.261 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 83.4 m-70 -118.05 108.19 14.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLY . 9.0 mm-40 -71.1 -100.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -39.55 -29.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.31 179.71 27.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.08 119.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.331 3.354 . . . . 1.0 109.632 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.3 -151.72 23.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 1.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -62.5 148.89 44.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 1.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.3 mt -114.85 132.96 62.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 1.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -94.12 121.07 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 1.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.94 -43.45 1.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 1.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 33.5 t80 -70.62 156.0 40.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 1.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 168.25 -28.88 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 1.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HE3' ' C2A' ' A' ' 103' ' ' HEM . 0.0 OUTLIER -169.81 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 1.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' LYS . 4.1 tp10 -35.83 -52.24 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 1.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 14.4 mmm -48.52 -52.35 22.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.34 65.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.498 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.9 m170 -79.88 8.53 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 1.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.97 -140.26 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 1.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 18.9 pttt -60.5 81.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 1.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.7 -47.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 33.9 m -136.84 -55.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.4 OUTLIER -67.95 -51.44 47.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.95 -47.11 1.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' MET . 28.2 t -75.3 -43.13 52.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.656 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.4 m170 -57.98 -44.22 86.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -80.29 -29.59 38.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 1.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 23.1 tt0 -75.5 -30.31 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 1.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.3 mtt -101.1 -42.04 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 77.33 48.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -132.11 -44.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.71 41.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 55.5 Cg_endo -75.61 131.0 13.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.325 3.35 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -130.59 22.32 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 1.0 110.399 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -129.5 152.63 48.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 1.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -57.51 -41.09 80.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 108.309 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.15 14.79 56.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 1.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -115.42 -3.2 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 1.0 110.317 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -129.96 -60.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 108.333 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -73.68 102.62 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -151.43 112.89 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 1.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.248 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.657 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.117 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.747 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.322 -0.621 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.19 -39.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.8 t0 -39.18 116.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 4' ' ' ILE . 5.8 mt -109.15 83.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.531 HG11 ' OD1' ' A' ' 12' ' ' ASP . 41.4 t -65.7 125.56 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 60.4 mt -88.15 174.46 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.8 113.1 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.01 109.89 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 1.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -9.28 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.1 m120 -87.55 0.26 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.49 111.41 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 1.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' OD1' HG11 ' A' ' 5' ' ' VAL . 2.9 m-20 -43.23 147.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -117.48 83.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 1.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -57.6 114.1 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 1.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.0 tp -107.71 104.11 51.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.849 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.6 Cg_exo -59.09 64.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 1.0 109.558 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 30.9 t-80 -40.82 -54.33 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.605 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 8.3 tptp -51.57 -57.04 10.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.849 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.64 -49.93 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.682 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.2 m80 -62.8 -24.39 67.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 109.591 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 53.6 mt-30 -78.19 -9.73 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.276 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -39.31 5.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -72.32 -26.22 61.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 t -127.62 70.54 76.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 72.1 Cg_exo -46.67 -22.96 2.06 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.353 . . . . 1.0 109.605 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.87 101.65 14.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.12 52.18 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -129.42 -56.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -48.44 -23.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 1.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.437 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -103.07 -34.58 8.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 87.1 m-70 -110.74 107.28 16.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' OE1' ' CD ' ' A' ' 33' ' ' LYS . 7.2 tm-20 -70.47 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' CD ' ' OE1' ' A' ' 32' ' ' GLU . 4.0 mtpt -39.63 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 147.27 174.72 19.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 1.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -51.93 116.74 2.96 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.343 3.362 . . . . 1.0 109.62 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 149.43 -154.71 25.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 1.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -63.85 151.81 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 1.0 109.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 mt -115.39 132.65 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -102.0 111.25 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 1.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.21 -43.36 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 1.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 17.8 t80 -68.81 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 1.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.33 -37.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 1.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -157.62 -80.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.717 . . . . 1.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -34.76 -51.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 1.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -49.25 -54.7 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -58.47 -42.45 87.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.6 m170 -78.64 5.7 10.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 109.605 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -155.14 -137.47 2.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 1.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -60.96 81.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 1.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.53 -46.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.534 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.4 m -137.55 -55.56 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.68 -51.85 37.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.33 -47.99 1.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 t -74.01 -41.27 62.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' HB3' HG23 ' A' ' 63' ' ' THR . 61.8 m170 -60.05 -47.37 86.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 1.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.89 -22.79 52.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 8.2 tp10 -81.46 -41.55 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 1.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 5.1 mtt -91.09 -42.79 10.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' HIS . 5.0 mmtt 79.34 46.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CG ' HAD1 ' A' ' 102' ' ' HEM . 1.5 tttp -127.65 -43.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.616 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.72 -175.54 49.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.411 1.069 . . . . 1.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.597 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 64.9 Cg_endo -74.19 141.28 29.0 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.311 3.341 . . . . 1.0 109.63 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.69 HG22 ' HD3' ' A' ' 52' ' ' LYS . 1.3 p -139.49 28.45 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 1.0 110.407 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.556 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.7 OUTLIER -136.89 154.69 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 1.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.05 -43.3 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 1.0 108.328 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.35 15.31 50.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.436 1.085 . . . . 1.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -115.4 -1.15 12.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 1.0 110.29 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.63 -61.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 108.286 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.24 106.24 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.657 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -136.06 108.25 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.682 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.13 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.556 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -40.04 -37.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 1.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' ASP . 1.4 t70 -40.13 128.71 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.3 mt -121.88 95.92 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 t -75.54 126.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 ' O2D' ' A' ' 101' ' ' HEM . 58.3 mt -96.19 147.43 23.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 1.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -74.37 120.81 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -68.68 -10.1 54.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.493 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.4 m120 -89.24 2.21 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.93 111.42 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 1.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 2.9 m-20 -45.79 151.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.773 . . . . 1.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.95 82.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.3 107.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -102.04 118.3 59.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.775 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.9 Cg_endo -73.01 65.41 4.15 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.322 3.348 . . . . 1.0 109.558 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 40.6 t-80 -38.96 -58.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.585 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 20.6 ttpt -44.36 -64.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.46 -44.63 45.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.615 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 28.1 m80 -66.32 -23.83 66.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 1.0 109.563 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 67.7 mt-30 -79.43 -22.39 44.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 1.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.21 -30.83 11.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 1.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.18 -36.81 66.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 t -110.18 99.96 42.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.02 46.97 2.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.348 3.365 . . . . 1.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -166.7 83.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.337 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.5 62.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 1.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -142.78 -50.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -53.16 -20.91 4.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.65 -32.12 8.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 108.239 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.2 m-70 -112.29 110.36 20.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0 109.568 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLY . 2.6 mp0 -77.39 -99.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 110.323 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 4.3 mttm -39.01 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.06 179.3 31.01 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.495 1.122 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -63.27 124.93 14.7 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.342 3.361 . . . . 1.0 109.576 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.73 -149.88 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.135 . . . . 1.0 111.008 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -62.97 147.36 50.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 0.751 . . . . 1.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -112.92 129.87 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.26 114.06 25.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.75 -39.7 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 1.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 8.8 t80 -72.46 146.96 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 1.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -176.94 -36.03 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 1.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -159.32 -80.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.78 . . . . 1.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -37.82 -53.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mtt -44.54 -46.07 9.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -65.37 -57.49 8.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 1.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m170 -57.35 -17.15 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 109.653 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -131.58 -138.91 4.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 84.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 1.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 178.35 -43.43 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.7 m -141.54 -55.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -70.08 -51.97 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.63 -47.65 1.71 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 1.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' MET . 35.9 t -74.41 -40.63 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.315 -0.994 . . . . 1.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.651 ' HB3' HG23 ' A' ' 63' ' ' THR . 62.9 m170 -60.54 -44.9 95.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 1.0 109.581 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.01 -25.37 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 9.4 tp10 -79.82 -33.33 40.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtp -100.15 -39.4 8.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 74.91 47.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.3 OUTLIER -128.39 -44.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -80.47 -175.17 48.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.617 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 66.9 Cg_endo -73.9 139.97 28.12 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.353 3.368 . . . . 1.0 109.603 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -139.13 28.93 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.422 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.1 OUTLIER -136.15 153.45 51.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 1.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.17 -40.36 81.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 108.259 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.21 16.99 54.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.0 mt-10 -118.08 0.79 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 1.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -133.88 -62.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 108.261 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -71.16 109.79 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.21 117.0 5.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 1.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.608 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.094 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.549 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.4 OUTLIER -44.28 -37.63 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -36.08 126.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 1.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.726 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.9 mt -118.53 85.89 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -66.73 124.92 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.585 HD13 ' O1D' ' A' ' 103' ' ' HEM . 33.9 mt -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 1.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -78.42 113.0 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 108.0 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -67.35 -10.9 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.482 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 11.7 m120 -88.89 2.6 53.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.28 111.72 2.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 1.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 6' ' ' LEU . 5.8 m-20 -45.23 154.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -124.9 84.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.6 ttpt -58.83 111.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.1 tp -105.94 105.44 53.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 1.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.875 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 32.6 Cg_exo -59.55 63.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.32 3.347 . . . . 1.0 109.63 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' ' 15' ' ' LEU . 34.6 t-80 -38.96 -54.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 1.0 109.6 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 3.4 ttpp -52.4 -58.08 7.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.875 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -52.92 -50.01 64.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 29.9 m80 -62.02 -28.64 69.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 1.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 55.9 mt-30 -73.23 -7.17 50.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -108.95 -39.98 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' C ' ' HD3' ' A' ' 25' ' ' PRO . . . -73.37 -22.19 60.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.9 t -130.08 69.02 81.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 23' ' ' ALA . 61.1 Cg_exo -48.58 -21.86 3.79 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.262 3.308 . . . . 1.0 109.608 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.86 93.14 9.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -76.96 60.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 108.317 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -47.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HG2' HBC1 ' A' ' 102' ' ' HEM . 12.8 tptt -55.22 -19.24 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -108.11 -35.43 6.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 1.0 108.293 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 92.4 m-70 -108.67 109.17 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.4 mt-10 -74.22 -100.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mttt -39.0 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.41 175.03 25.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 1.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -57.85 125.25 18.07 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.321 3.347 . . . . 1.0 109.608 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 138.7 -172.93 22.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 1.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.68 146.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 0.793 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mt -112.98 137.25 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 1.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -100.01 115.91 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 1.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -44.63 1.27 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 31.2 t80 -62.52 102.55 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 1.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -132.96 -29.61 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 1.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 39.0 tttt -170.79 -77.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -35.48 -48.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 1.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -58.91 4.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.86 -41.08 73.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.1 m170 -82.73 10.43 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 1.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -158.2 -133.15 1.51 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.162 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 76.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.99 -50.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.486 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 32.5 m -135.54 -55.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.67 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -66.21 -52.67 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.12 -48.84 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 1.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 31.6 t -73.84 -43.23 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.607 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.2 m170 -58.49 -47.74 83.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -76.18 -23.35 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 1.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 16.9 tp10 -80.94 -42.64 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mtt -89.8 -43.68 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 80.34 41.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 18.8 tptt -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -82.6 -175.92 51.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 60.1 Cg_endo -74.6 144.94 32.45 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.335 3.357 . . . . 1.0 109.583 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.67 HG22 ' CD ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -142.85 37.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 1.0 110.406 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.657 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.0 mmmt -144.37 157.11 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.88 -37.93 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.06 17.19 56.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 1.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 70.0 mt-10 -119.1 1.5 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -134.66 -61.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 1.0 108.313 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.61 109.42 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.54 116.93 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.504 HBC1 ' C1C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.108 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.657 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.96 ' HB3' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -40.14 -45.94 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.96 ' OD1' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.68 114.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 1.0 109.284 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 4' ' ' ILE . 6.4 mt -105.98 86.22 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 12' ' ' ASP . 27.6 t -66.93 126.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CGD' ' A' ' 103' ' ' HEM . 53.8 mt -94.67 155.38 16.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.77 118.81 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.36 110.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -68.4 -10.79 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -85.83 -1.35 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.7 112.16 2.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 1.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 5' ' ' VAL . 3.7 m-20 -41.41 149.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.18 81.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 8.4 tttt -55.44 113.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 1.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.9 tp -107.64 104.8 54.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.626 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.5 Cg_exo -58.88 64.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.33 3.354 . . . . 1.0 109.606 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.586 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.8 t-80 -41.52 -54.43 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.588 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -50.17 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.64 -46.68 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 27.6 m80 -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 1.0 109.585 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 57.9 mt-30 -80.62 -8.89 59.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -38.87 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -70.55 -33.35 71.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.79 92.52 14.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 57.9 Cg_endo -75.29 51.02 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.314 3.342 . . . . 1.0 109.565 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -168.64 84.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 1.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.62 61.62 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -143.54 -52.73 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -50.62 -25.59 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.634 ' SG ' HMC3 ' A' ' 102' ' ' HEM . 0.7 OUTLIER -101.4 -32.81 10.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 1.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 92.2 m-70 -111.12 110.22 20.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 1.0 109.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.3 tt0 -76.17 -99.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.17 178.26 29.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.452 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 41.7 Cg_endo -61.68 124.69 15.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.349 3.366 . . . . 1.0 109.625 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.5 -147.41 19.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 1.0 111.005 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -64.0 147.23 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 1.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.8 mt -113.51 130.12 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.37 113.65 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 1.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.49 -41.38 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 1.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.3 t80 -70.42 151.21 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 1.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 175.95 -32.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 1.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -164.55 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 1.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -36.42 -45.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.23 -55.65 25.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -57.36 -42.2 81.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.0 m170 -77.84 4.53 11.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 1.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.17 -136.2 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 1.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 80.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 1.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -176.99 -45.65 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.555 1.16 . . . . 1.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.4 m -138.64 -55.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.709 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.21 -52.01 39.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.18 -46.68 0.51 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 1.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 37.5 t -76.31 -46.73 26.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.293 -1.003 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.63 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.3 m170 -53.88 -48.26 70.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -73.56 -20.01 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 13.4 mm-40 -83.56 -44.7 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 1.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtt -86.86 -42.38 13.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' HIS . 9.1 mmtt 79.22 43.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 3.2 mmtp -128.1 -44.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 1.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -177.08 38.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 1.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 53.7 Cg_endo -75.58 134.27 16.68 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.326 . . . . 1.0 109.586 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.709 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -133.82 24.59 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 1.0 110.39 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -132.68 154.57 50.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 1.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -58.21 -43.04 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 108.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.58 14.37 51.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 1.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -114.5 -2.86 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 1.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.7 OUTLIER -130.85 -61.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.325 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -72.09 107.02 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -130.74 105.6 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 1.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.562 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 0.839 ' C2B' HD13 ' A' ' 15' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.3 t0 -79.87 -34.22 39.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' ASP . 61.4 t0 -38.99 111.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -105.56 87.63 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 1.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 21.4 t -69.39 125.24 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.582 HD13 ' O2D' ' A' ' 103' ' ' HEM . 52.9 mt -86.47 -172.2 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 118.7 36.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.67 107.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -10.73 53.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -86.56 0.06 55.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.17 110.82 1.74 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 1.7 m-20 -44.7 152.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.08 86.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.153 . . . . 1.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -60.65 112.96 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -106.18 105.87 55.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.933 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 30.5 Cg_exo -59.82 63.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.282 3.322 . . . . 1.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.3 t-80 -39.31 -54.85 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.585 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -55.61 21.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.933 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.35 -50.66 66.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.694 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 40.9 m80 -63.3 -24.67 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.54 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 58.8 mt-30 -77.38 -7.76 56.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -110.61 -39.95 4.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 1.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -71.46 -34.19 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 49.1 t -111.3 86.63 6.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 56.4 Cg_endo -73.52 52.85 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.308 3.338 . . . . 1.0 109.624 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -166.07 87.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 1.0 109.327 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.81 61.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -146.71 -53.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 1.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -21.95 6.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -105.26 -31.7 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 108.267 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 86.9 m-70 -112.13 107.53 16.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 1.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 12.8 tp10 -72.51 -99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 mttt -39.39 -29.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.11 177.78 25.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 28.9 Cg_endo -58.62 120.59 8.56 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.333 3.355 . . . . 1.0 109.611 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 141.16 -165.94 26.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -48.29 147.04 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -114.04 135.87 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 122.39 43.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.2 -35.41 4.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 1.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.619 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.0 t80 -72.59 101.64 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 1.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.02 -27.66 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -174.98 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' LYS . 7.6 tp10 -37.09 -47.98 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -51.54 -58.34 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.04 -40.87 70.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 30.4 m170 -81.65 9.95 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 1.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.34 -133.43 1.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 2.0 ptpp? -63.86 76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 1.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -169.91 -50.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 36.1 m -136.02 -54.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.704 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -67.86 -51.34 49.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.94 -47.87 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 57' ' ' GLU . 26.5 t -74.95 -44.03 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 60.1 m170 -57.4 -46.93 82.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -76.8 -26.26 54.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 30.0 tp10 -77.66 -41.15 39.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.5 mtt -90.27 -43.21 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.2 OUTLIER 79.15 51.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 9.7 mttt -135.73 -46.08 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 1.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.47 -175.82 34.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.571 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 63.6 Cg_endo -74.72 132.65 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.296 3.331 . . . . 1.0 109.583 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.88 25.25 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.421 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.49 152.08 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -56.54 -42.6 78.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 1.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.9 15.68 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 1.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -115.22 -1.49 12.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 1.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.03 -60.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -73.5 106.85 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 115.83 5.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 1.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.694 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.582 ' O2D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' HB1' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -100.03 -32.96 10.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.56 ' OD1' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.29 140.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 1.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.2 mt -131.89 85.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 28.6 t -66.65 124.56 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD21 ' O2D' ' A' ' 101' ' ' HEM . 33.3 mt -95.72 166.88 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.66 132.23 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.33 104.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -13.08 57.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -86.92 1.95 50.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.56 110.97 2.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.2 m-20 -46.38 162.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 t -128.1 87.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -63.63 104.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.4 OUTLIER -99.65 118.73 61.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.7 Cg_endo -73.22 65.46 4.35 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.5 t-80 -37.93 -55.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.655 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' CA ' ' OD2' ' A' ' 2' ' ' ASP . 4.0 ttmt -46.17 -63.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.7 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -48.49 -51.43 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.74 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 49.9 m80 -61.92 -23.15 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 1.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.603 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 6.8 mt-30 -81.79 -1.68 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 -41.42 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 1.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -67.71 -21.51 65.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.87 85.96 45.55 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 1.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 16.7 Cg_exo -68.81 54.79 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.294 3.329 . . . . 1.0 109.627 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -175.04 87.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 1.0 109.244 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.51 62.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 108.321 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -144.25 -50.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 1.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -18.35 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -108.76 -33.22 7.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.274 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -111.31 111.19 22.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 1.0 109.59 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 34' ' ' GLY . 3.2 tt0 -74.33 -99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.4 mppt? -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 1.0 109.312 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 152.28 176.45 24.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.13 . . . . 1.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 25.3 Cg_endo -57.14 120.91 9.15 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.297 3.331 . . . . 1.0 109.578 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' HA2' ' CAA' ' A' ' 101' ' ' HEM . . . 146.41 -153.68 25.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 1.0 111.02 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -62.59 148.57 45.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 1.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.38 134.92 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.98 126.49 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . . . 113.5 -43.36 1.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 33.1 t80 -61.04 108.25 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 1.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -136.25 -38.74 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 1.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -161.72 -80.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -33.83 -45.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -50.8 -60.99 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.48 -40.72 72.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.522 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.0 m170 -82.94 10.75 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.591 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -157.67 -133.72 1.63 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 74.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 1.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -166.5 -50.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.2 m -137.79 -55.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.805 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.22 -51.37 54.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.7 -46.83 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 1.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.1 t -74.97 -43.09 55.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.622 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.2 m170 -57.97 -46.22 85.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 1.0 109.638 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -77.92 -28.27 49.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 12.9 tp10 -75.8 -37.75 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' CYS . 7.2 mtt -93.46 -42.87 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 3.6 mmmt 78.39 50.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -45.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.593 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.96 -174.31 36.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -74.49 138.27 24.12 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.282 3.321 . . . . 1.0 109.629 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.805 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -138.67 29.58 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 110.376 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -135.66 153.16 51.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.6 m -57.91 -42.62 85.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 108.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.93 15.91 50.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -114.67 -2.39 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.69 -61.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 108.263 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.45 108.04 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 1.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -138.05 110.02 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.74 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.144 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.54 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -81.77 -35.35 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.2 t0 -38.91 114.03 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.9 mt -107.24 84.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.6 t -65.17 126.17 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 ' O1D' ' A' ' 101' ' ' HEM . 47.5 mt -95.54 150.55 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.03 121.37 21.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.68 108.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -68.64 -10.33 55.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.7 m120 -87.59 0.93 54.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.53 111.1 2.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 1.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 m-20 -42.75 150.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.794 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.77 83.34 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -58.76 113.32 1.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.5 tp -107.03 104.93 54.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.845 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 38.8 Cg_exo -58.89 65.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.617 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 25.6 t-80 -41.72 -52.86 3.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 1.0 109.568 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.1 ttpt -54.95 -57.57 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -53.25 -48.19 68.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 1.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 30.2 m80 -63.98 -27.66 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 1.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.617 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 68.4 mt-30 -72.12 -19.76 61.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 1.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -34.14 9.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.88 -35.84 67.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 1.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -110.61 94.68 20.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.52 49.49 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.293 3.329 . . . . 1.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -167.56 84.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 1.0 109.259 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.88 61.57 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 1.0 108.284 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -142.63 -53.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 1.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.5 -22.65 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -104.79 -33.48 8.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 108.267 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.7 m-70 -111.25 109.12 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.1 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 1.2 mttp -38.88 -30.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.57 178.92 31.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 39.2 Cg_exo -64.37 125.57 15.32 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.327 3.351 . . . . 1.0 109.583 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 140.58 -150.97 22.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.157 . . . . 1.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -62.66 147.59 48.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 1.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 mt -113.58 132.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.45 114.91 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 1.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.31 -43.92 1.37 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -67.61 137.51 55.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.39 -37.24 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 1.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.7 tttt -156.7 -80.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 1.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 1.1 tp10 -35.24 -54.19 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 1.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 49' ' ' LYS . 7.3 mmt -47.3 -53.3 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.57 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -77.65 5.58 8.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.581 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -152.91 -138.52 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 1.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -61.08 81.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -175.91 -47.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.514 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 38.8 m -137.44 -54.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.707 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -70.15 -50.5 39.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 1.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.81 -46.94 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 1.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 58' ' ' MET . 27.1 t -75.5 -42.47 52.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 63' ' ' THR . 58.8 m170 -58.89 -44.87 91.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 1.0 109.611 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.45 -26.56 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 24.5 tp10 -78.32 -34.02 48.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.405 ' HG3' ' SG ' ' A' ' 54' ' ' CYS . 4.3 mtt -97.46 -41.66 8.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' HIS . 6.1 mmmt 77.35 48.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 1.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -132.92 -45.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -75.59 -175.43 37.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 59.5 Cg_endo -75.06 132.88 15.84 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.331 3.354 . . . . 1.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.707 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -132.83 23.65 4.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.4 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' O ' HMC1 ' A' ' 103' ' ' HEM . 7.0 tptt -130.49 154.05 48.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.11 -39.59 82.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.85 16.08 55.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 1.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 3.3 mt-10 -116.98 -1.07 12.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 1.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -132.2 -61.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 1.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -72.86 108.12 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 109.595 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -138.26 108.8 6.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.605 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.09 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.541 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -73.75 -40.72 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' ASP . 45.5 t0 -37.71 114.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.7 mt -108.79 102.5 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 3.8 t -81.52 126.83 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 1.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.536 HD21 ' O1D' ' A' ' 101' ' ' HEM . 31.0 mt -95.31 152.99 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -78.85 121.51 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.36 104.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -66.69 -10.85 50.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.3 1.92 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.72 111.21 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.4 m-20 -44.5 155.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 1.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -123.9 83.65 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.5 ttmt -58.63 112.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD13 ' C2B' ' A' ' 102' ' ' HEM . 1.6 tp -108.25 103.78 51.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.952 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 35.3 Cg_exo -59.31 64.04 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.58 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.7 t-80 -39.41 -55.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.607 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -52.64 -54.98 25.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -54.93 -51.06 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.53 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 31.7 m80 -61.33 -28.83 69.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.0 109.635 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 54.2 mt-30 -72.1 -7.57 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -106.92 -41.2 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.72 64.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -125.88 79.57 68.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.36 -13.85 22.25 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 1.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.79 92.74 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.3 58.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 1.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -140.73 -48.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 8.3 tptt -55.46 -20.62 13.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -106.66 -33.75 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 1.0 108.34 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 89.2 m-70 -109.53 109.18 19.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 1.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.7 tp10 -70.28 -99.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -39.25 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 1.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 148.06 173.39 18.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.5 119.93 5.2 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.288 3.325 . . . . 1.0 109.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 144.91 -166.83 27.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.38 152.17 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 1.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.72 138.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -104.25 115.94 31.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 1.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.48 -39.46 2.2 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 1.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 22.3 t80 -67.99 98.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 1.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.37 -22.08 1.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 1.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 tmtt? 179.53 -73.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 1.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 tp10 -38.92 -49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 1.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.0 mmt -51.76 -57.27 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 1.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -55.1 -40.85 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.0 m170 -80.98 9.67 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -156.48 -133.01 1.58 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 1.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.41 -50.17 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 1.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 30.7 m -135.28 -54.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.55 -52.79 34.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -35.58 -47.67 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 58' ' ' MET . 34.4 t -75.88 -44.74 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.664 ' HB3' HG23 ' A' ' 63' ' ' THR . 64.5 m170 -56.48 -43.59 79.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 1.0 109.634 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -80.78 -29.67 36.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 1.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 6.6 tp10 -76.03 -27.97 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.5 mtt -104.23 -38.68 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.1 mmmp? 73.01 47.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -130.45 -44.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -78.65 -175.95 46.79 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 66.9 Cg_endo -74.65 133.32 17.0 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.331 3.354 . . . . 1.0 109.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HB3' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -133.16 25.08 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 110.44 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' O ' HMC1 ' A' ' 103' ' ' HEM . 3.0 tptt -130.66 153.88 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.3 m -58.12 -42.2 85.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 1.0 108.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 15.94 50.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.125 . . . . 1.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 6.2 mt-10 -116.1 -2.02 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 0.794 . . . . 1.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -131.12 -60.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.28 107.74 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -151.43 116.8 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.536 ' O1D' HD21 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.55 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.99 -37.04 40.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 1.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -43.69 123.26 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 4' ' ' ILE . 7.3 mt -120.39 94.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 5.6 t -76.89 127.07 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD21 ' O2D' ' A' ' 101' ' ' HEM . 35.8 mt -95.04 153.18 17.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 119.55 23.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.53 108.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 1.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -10.05 54.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.7 m120 -91.04 4.26 52.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.33 110.93 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 1.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -47.05 155.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.743 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -122.93 86.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 107.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.828 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.02 117.38 60.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.687 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 72.9 Cg_endo -73.38 66.58 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.326 3.351 . . . . 1.0 109.582 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t-80 -39.44 -55.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.615 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 6.0 tttt -46.1 -62.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -51.19 -49.59 60.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.573 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 45.6 m80 -63.26 -20.73 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.5 mt-30 -82.27 -19.43 39.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 1.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -104.26 -34.05 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.39 70.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 1.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -110.93 95.63 25.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.86 48.24 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.321 3.348 . . . . 1.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.06 85.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.19 62.57 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 5.0 ptpt -147.71 -48.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -56.35 -18.86 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -109.27 -33.17 6.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 108.296 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 94.0 m-70 -110.6 113.19 25.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 1.0 109.567 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.7 mp0 -78.67 -99.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 1.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -39.44 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 156.28 179.01 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 1.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 31.7 Cg_exo -62.8 125.26 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.269 3.313 . . . . 1.0 109.601 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.57 -152.59 23.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 149.27 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 1.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.5 mt -115.21 134.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.22 137.23 36.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.89 -37.0 3.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.463 1.102 . . . . 1.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 13.6 t80 -69.66 105.37 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 1.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 43' ' ' LYS . . . -150.48 9.52 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER 162.13 -84.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 0.741 . . . . 1.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -33.84 -54.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 1.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -49.54 -56.27 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 1.0 111.016 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.27 -43.23 92.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.511 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 29.3 m170 -83.11 11.47 6.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -157.97 -136.26 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.88 78.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 1.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -171.66 -50.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 1.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 35.1 m -136.5 -55.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HD3' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -68.02 -51.61 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -36.71 -46.66 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 58' ' ' MET . 29.2 t -75.42 -42.96 52.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 63' ' ' THR . 59.4 m170 -57.93 -45.12 87.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 109.559 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -79.08 -28.42 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 14.3 tt0 -76.3 -33.31 59.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' CYS . 5.5 mtt -98.05 -42.38 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.4 mmmt 77.61 49.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.3 -45.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.583 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.61 -175.02 40.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 69.9 Cg_endo -74.4 134.0 18.31 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.65 HG22 ' HD3' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -134.05 25.05 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 1.0 110.437 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.7 OUTLIER -131.32 153.37 49.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -57.47 -43.03 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 108.292 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.21 15.37 49.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 1.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -114.79 -1.92 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 1.0 110.295 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.96 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.48 109.81 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -151.51 117.38 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.549 ' CMC' HBC2 ' A' ' 101' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.561 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' HIS . 4.5 t0 -47.51 -58.05 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -94.93 110.35 22.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.5 mt -112.55 86.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' CG ' ' A' ' 12' ' ' ASP . 39.7 t -65.29 125.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.646 HD21 ' O2D' ' A' ' 101' ' ' HEM . 40.0 mt -92.14 162.44 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 113.42 21.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.75 109.17 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -8.15 49.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.501 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 10.4 m120 -88.74 1.18 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.25 111.64 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.508 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.0 m-20 -43.26 150.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 0.759 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -121.37 80.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -56.92 113.25 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.9 OUTLIER -106.83 104.8 53.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.6 Cg_exo -58.62 66.68 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.301 3.334 . . . . 1.0 109.568 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.576 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 t-80 -43.01 -56.78 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 2.0 tptp -48.2 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -50.16 -45.6 53.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.541 ' CE1' ' NA ' ' A' ' 102' ' ' HEM . 19.4 m80 -64.15 -24.32 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 1.0 109.572 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.604 ' OE1' ' C2B' ' A' ' 101' ' ' HEM . 30.7 mt-30 -81.62 -12.49 58.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -103.95 -30.17 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.61 -22.93 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 24' ' ' VAL . 23.0 t -129.61 74.29 80.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.06 -18.32 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.306 3.338 . . . . 1.0 109.612 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB3' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.4 91.84 7.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.89 60.86 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.0 pttt -138.54 -47.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -55.34 -21.78 16.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.654 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.8 OUTLIER -105.9 -33.05 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 108.285 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 93.0 m-70 -111.25 110.35 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLY . 24.7 mm-40 -77.0 -99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -38.93 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 1.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 155.83 -179.86 31.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 1.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.5 Cg_exo -62.65 124.93 15.03 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.332 3.355 . . . . 1.0 109.563 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 137.88 -158.63 24.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 1.0 110.98 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -54.26 148.87 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 1.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.31 130.9 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.8 110.7 22.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 110.284 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.45 -43.82 1.29 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 1.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 8.7 t80 -68.37 148.46 50.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 1.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 179.92 -34.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -160.07 -81.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -38.47 -48.82 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 1.0 110.273 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -48.41 -47.57 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.953 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -64.26 -57.05 10.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.0 m170 -60.34 -13.83 15.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.599 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -133.35 -137.81 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -177.32 -45.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 14.5 m -142.83 -57.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.57 -30.21 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -59.28 -50.36 68.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.6 t -73.19 -38.61 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.294 -1.002 . . . . 1.0 108.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.604 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 64.4 m170 -61.63 -46.48 89.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.652 ' HG2' HG22 ' A' ' 63' ' ' THR . 17.8 mm-40 -77.17 -23.99 51.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 4.5 tp10 -80.19 -42.48 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 4.5 mtt -89.87 -43.13 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 1.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 79.58 44.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 1.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.35 -42.69 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.604 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -79.87 -175.31 47.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.11 . . . . 1.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 79.6 Cg_endo -72.94 138.19 28.04 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.289 3.326 . . . . 1.0 109.588 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.652 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -136.18 26.52 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.418 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -135.78 155.83 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.08 -40.95 91.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 1.0 108.338 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.71 16.37 50.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -116.41 -2.44 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 1.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.55 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -131.01 -61.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 108.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -72.5 106.95 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -150.12 111.99 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 1.0 109.283 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.646 ' O2D' HD21 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.133 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.589 HMC1 ' O ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -102.62 -33.11 9.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 2' ' ' ASP . 62.0 t0 -38.77 120.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -115.91 84.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 47.5 t -64.01 123.79 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.805 HD21 ' O1D' ' A' ' 101' ' ' HEM . 20.5 mt -87.76 -174.1 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.8 ptpt -106.9 134.71 49.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 177.01 107.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -66.72 -10.83 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.46 -1.19 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.21 111.68 1.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 1.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 3.9 m-20 -41.53 158.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 1.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 t -126.05 86.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 1.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.5 tttp -57.36 114.8 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.9 tp -108.82 102.8 49.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.923 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 39.4 Cg_exo -58.94 66.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.339 3.36 . . . . 1.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 23.3 t-80 -42.41 -53.28 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.596 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -54.76 -54.22 44.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.923 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -55.47 -49.18 73.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.651 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 42.4 m80 -64.82 -24.09 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.58 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.581 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 62.7 mt-30 -74.39 -18.14 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -100.0 -40.66 7.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.52 68.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.13 79.28 73.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 1.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.13 -12.95 21.39 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.26 3.307 . . . . 1.0 109.583 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.29 91.47 6.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 1.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.41 59.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 1.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.7 ptpt -137.91 -51.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -55.6 -19.81 11.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.9 OUTLIER -106.59 -31.1 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.288 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 35' ' ' PRO . 88.0 m-70 -115.09 109.69 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 1.0 109.635 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -74.12 -100.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 1.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -38.98 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 154.66 179.44 29.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.409 1.068 . . . . 1.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 32.8 Cg_exo -62.11 121.16 9.08 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.326 3.351 . . . . 1.0 109.642 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 146.46 -154.01 25.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 1.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -61.16 149.49 37.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 1.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -115.78 137.57 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.16 120.13 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.47 -39.09 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 1.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 28.9 t80 -66.57 103.47 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' HBD1 ' A' ' 103' ' ' HEM . . . -131.96 -36.09 0.32 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 1.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 10.7 tmtt? -165.61 -79.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLY . 10.3 tp10 -36.44 -47.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.59 -55.35 13.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 1.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -59.62 -46.16 89.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.512 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 31.1 m170 -75.35 2.59 10.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -149.94 -131.66 1.93 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.1 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 1.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 -49.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 12.6 m -141.17 -56.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.48 -28.79 68.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 1.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -60.29 -53.41 45.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 1.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' MET . 46.5 t -71.25 -39.24 71.74 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.584 ' CE1' ' HD2' ' A' ' 62' ' ' PRO . 65.8 m170 -59.28 -43.92 92.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 1.0 109.582 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 63' ' ' THR . 14.2 mm-40 -80.8 -27.64 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -76.51 -29.77 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 1.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.9 mtt -102.09 -42.29 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' HIS . 12.6 mmmt 77.8 46.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -129.98 -44.25 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 1.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -76.29 -175.74 40.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 1.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.584 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 68.9 Cg_endo -73.64 132.58 17.53 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.289 3.326 . . . . 1.0 109.591 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -131.28 22.59 4.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 1.0 110.429 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.0 OUTLIER -129.09 153.6 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -58.24 -43.82 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 1.0 108.291 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.38 14.81 48.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 1.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -112.91 -3.62 14.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 0.79 . . . . 1.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.5 OUTLIER -130.08 -60.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 108.261 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -73.93 105.44 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -147.51 112.28 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.805 ' O1D' HD21 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.1 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.548 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -39.57 -37.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -39.81 115.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 4' ' ' ILE . 3.6 mt -109.38 104.4 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 3.5 t -81.89 127.6 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 HD22 ' O2D' ' A' ' 103' ' ' HEM . 40.9 mt -96.47 -178.38 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 6.0 mttt -97.1 150.23 21.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 7' ' ' LYS . . . 162.59 109.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -7.63 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.588 ' ND2' ' C3A' ' A' ' 103' ' ' HEM . 2.4 m-20 -90.31 0.97 57.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.94 110.93 1.85 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.443 1.09 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 2.9 m-20 -44.9 159.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.75 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.51 87.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -63.88 109.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.845 HD13 ' C2B' ' A' ' 102' ' ' HEM . 0.7 OUTLIER -103.01 117.82 59.56 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.743 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 73.4 Cg_endo -72.99 66.02 4.12 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.289 3.326 . . . . 1.0 109.582 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CE1' ' CD ' ' A' ' 21' ' ' GLN . 38.5 t-80 -39.26 -56.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 1.0 109.554 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 15.2 ttpt -45.75 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -49.84 -45.45 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.595 ' HD1' ' HG2' ' A' ' 16' ' ' PRO . 33.2 m80 -65.81 -22.2 66.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 1.0 109.611 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' CD ' ' CE1' ' A' ' 17' ' ' HIS . 70.1 mt-30 -82.1 -12.61 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -105.19 -37.94 6.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.15 81.49 51.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.95 -15.51 17.39 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.351 3.367 . . . . 1.0 109.607 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.76 93.82 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.33 64.39 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 108.281 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 19.2 pttt -140.21 -46.13 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -56.28 -20.46 18.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' SG ' HMC2 ' A' ' 102' ' ' HEM . 0.6 OUTLIER -107.78 -34.26 7.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.2 m-70 -110.08 106.26 15.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -70.77 -99.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -38.68 -30.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . 151.46 175.42 23.24 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 31' ' ' HIS . 17.4 Cg_endo -53.25 125.49 18.59 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.309 3.339 . . . . 1.0 109.64 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.491 ' HA2' ' CBA' ' A' ' 101' ' ' HEM . . . 139.29 -158.9 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 1.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -57.58 149.64 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 1.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.6 mt -114.63 132.23 64.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.97 126.0 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.6 -45.62 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 1.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 45' ' ' MET . 19.7 t80 -64.7 145.49 56.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 1.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.47 -33.91 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -160.98 -80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 1.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' LYS . 3.3 tp10 -36.78 -51.32 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -48.47 -52.52 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 110.968 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' SG ' ' A' ' 51' ' ' CYS . . . -58.7 -44.74 90.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 32.2 m170 -73.54 0.39 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.621 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -151.79 -135.89 2.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 1.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -60.01 82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 1.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -179.55 -45.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 1.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.517 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 34.2 m -140.08 -55.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 63' ' ' THR . 1.4 mtpt -68.32 -52.09 37.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.07 -47.96 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' MET . 30.3 t -74.3 -41.49 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.66 ' HB3' HG23 ' A' ' 63' ' ' THR . 63.9 m170 -59.75 -46.19 89.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 1.0 109.56 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -78.41 -24.48 46.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 1.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 5.9 tp10 -79.97 -38.07 33.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.1 mtt -94.87 -42.49 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 78.82 44.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HG2' ' CGD' ' A' ' 102' ' ' HEM . 0.0 OUTLIER -125.24 -43.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.617 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -81.05 -175.68 50.17 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.567 1.167 . . . . 1.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.595 ' HD3' ' C2A' ' A' ' 102' ' ' HEM . 57.0 Cg_endo -75.07 139.82 24.56 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.31 3.34 . . . . 1.0 109.566 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 55' ' ' HIS . 1.2 p -138.16 28.38 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 1.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.2 OUTLIER -135.37 154.1 51.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.93 -40.14 83.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 108.325 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.92 16.12 55.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' PRO . 10.8 mt-10 -117.55 0.64 12.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.542 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.6 OUTLIER -133.56 -61.21 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 108.295 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -73.01 104.02 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 1.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.36 110.08 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 1.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.621 HBC1 ' C2C' ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.154 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.979 ' O1D' HMD1 ' A' ' 103' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' OD1' ' CA ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -52.17 -34.4 44.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.742 ' OD1' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -38.63 113.96 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.724 ' O ' HG22 ' A' ' 4' ' ' ILE . 4.8 mt -109.39 84.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.742 HG23 ' OD1' ' A' ' 3' ' ' ASP . 47.2 t -64.6 123.68 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 1.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD13 ' O1D' ' A' ' 103' ' ' HEM . 28.9 mt -86.5 -171.9 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 1.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 129.48 55.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.08 110.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -10.43 54.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' CGA' ' A' ' 103' ' ' HEM . 9.4 m120 -85.86 -0.16 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.81 111.98 2.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' CG ' ' CG1' ' A' ' 5' ' ' VAL . 3.4 m-20 -41.31 160.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 1.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.93 88.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 1.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' CE ' ' HG3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -59.77 113.64 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 1.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' C2B' ' A' ' 102' ' ' HEM . 2.1 tp -107.81 104.15 52.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.913 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 37.2 Cg_exo -58.9 66.4 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.335 3.356 . . . . 1.0 109.638 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 15' ' ' LEU . 28.2 t-80 -43.12 -48.24 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.579 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' CA ' ' OD1' ' A' ' 2' ' ' ASP . 3.3 tppp? -57.77 -52.71 64.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -58.05 -47.6 82.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.736 ' HB3' HBC2 ' A' ' 101' ' ' HEM . 54.8 m80 -67.8 -20.47 65.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.509 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 36.3 mt-30 -75.76 -24.58 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -105.19 -32.49 8.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.43 65.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 1.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 24' ' ' VAL . 41.6 t -121.77 84.78 43.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.41 56.69 0.45 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.287 3.325 . . . . 1.0 109.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.33 88.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 1.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.0 59.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 1.0 108.353 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 9.8 ptpt -143.36 -48.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 2.8 tptm -59.28 -16.77 23.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -31.69 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 1.0 108.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' H ' ' A' ' 36' ' ' GLY . 88.8 m-70 -113.63 118.1 33.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 1.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.1 mp0 -73.25 -100.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.38 -25.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 32' ' ' GLU . . . 147.45 179.42 23.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 1.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.84 119.73 5.14 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.319 3.346 . . . . 1.0 109.579 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' H ' ' CE1' ' A' ' 31' ' ' HIS . . . 142.97 -171.73 24.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 1.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 152.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 1.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -117.84 134.34 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 1.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 126.79 37.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.72 -47.48 1.04 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 1.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 45' ' ' MET . 5.9 t80 -61.73 140.92 58.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 1.0 111.045 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.51 -37.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' GLU . 9.4 tmtt? -160.57 -84.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 1.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLY . 2.3 tp10 -37.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -51.84 -53.38 41.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . . . -60.63 -47.82 84.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' CE1' ' NA ' ' A' ' 103' ' ' HEM . 30.5 m170 -73.98 0.88 12.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 1.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -142.58 -136.76 3.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 1.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -66.59 69.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 1.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -156.9 -46.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 1.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.453 ' HA ' ' CHC' ' A' ' 102' ' ' HEM . 43.8 m -140.44 -53.62 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.701 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -67.94 -49.83 59.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 57' ' ' GLU . . . -37.25 -49.03 1.6 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 1.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' MET . 32.6 t -73.31 -41.85 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 61' ' ' GLY . 59.9 m170 -59.21 -47.4 85.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -76.93 -26.97 54.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 1.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 13.1 tt0 -76.67 -40.47 48.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 1.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 3.3 mtt -90.43 -43.68 10.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER 80.04 49.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HB3' HAD1 ' A' ' 102' ' ' HEM . 2.9 mttm -134.66 -45.47 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 55' ' ' HIS . . . -74.77 -175.03 34.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.419 1.074 . . . . 1.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 62.2 Cg_endo -74.9 138.94 23.96 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.329 3.353 . . . . 1.0 109.592 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.701 HG22 ' CD ' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -139.61 31.27 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.0 110.41 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' O ' HMC1 ' A' ' 103' ' ' HEM . 0.3 OUTLIER -136.35 151.54 49.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.93 -35.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.17 18.24 56.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 1.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -118.08 -1.98 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 1.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.538 ' HB2' ' C2C' ' A' ' 103' ' ' HEM . 0.8 OUTLIER -131.21 -61.31 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 108.299 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.4 104.25 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.599 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -146.08 110.15 4.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 1.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.736 HBC2 ' HB3' ' A' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HEM . . . . . 1.113 HMC1 HBC2 ' A' ' 102' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HEM . . . . . 0.814 ' O1D' HD13 ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_